Molecular Properties | |
SMILES: | O=C(CCl)NOCc1ccccc1 |
MW: | 199.04 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 38.33 |
cLogP: | 1.47 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22557 |
Enamine SCR: | Z147646766 |
Mcule: | MCULE-2020242629 |
MolPort: | MolPort-009-617-100 |
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
acyclic NO not nitro
Hetero_hetero
Nitrosone_not_nitro
LON-WEI-8f408cad-3
MAK-UNK-f983951f-5
0.521
SAD-SAT-65574d3f-3
0.429
MAK-UNK-f983951f-22
0.370
SAD-SAT-6b5a89f0-8
0.370
MAR-TRE-8a25d817-83
0.365
MAK-UNK-27459e11-3
0.345
MAK-UNK-27459e11-4
0.340
MAK-UNK-27459e11-1
0.339
GIA-UNK-3f36037a-5
0.328
JOH-UNI-c7afdb96-15
0.328
ANT-DIA-b7f58f21-4
0.320
AAR-POS-d2a4d1df-1
0.320
DRA-CSI-47e38074-4
0.317
MAR-TRE-6a44bbf2-28
0.311
MAK-UNK-7c9d1431-23
0.311
ALE-UNK-fca05062-4
0.310
MAK-UNK-27459e11-2
0.310
SAD-SAT-65574d3f-2
0.309
MAR-TRE-6a44bbf2-73
0.309
DRR-IMP-38dce17f-3
0.304
MAK-UNK-7c9d1431-24
0.304
MAK-UNK-27459e11-12
0.304
DUN-NEW-f8ce3686-23
0.303
MAR-TRE-6a44bbf2-23
0.299
BEN-DND-03406596-1
0.299
BEN-DND-76ad4ac9-9
0.299
MAR-TRE-423310b6-10
0.296
SAD-SAT-29425be4-29
0.295
NEL-UNI-1464a899-4
0.293
MED-COV-4280ac29-28
0.289
MAK-UNK-be3f299e-2
0.288
MAK-UNK-27459e11-5
0.288
MAR-TRE-e86a56b5-55
0.288
FAR-UNI-a04c1544-1
0.286
MAT-POS-162a9720-7
0.286
MAR-TRE-6a44bbf2-9
0.284
MAR-TRE-6a44bbf2-57
0.284
SAD-SAT-d8079f6f-10
0.283
MAT-POS-bfefc3ea-2
0.282
TRY-UNI-714a760b-2
0.281
MAT-POS-b5746674-58
0.280
MAT-POS-b5746674-62
0.280
MAR-TRE-8a25d817-31
0.279
DAV-IMP-59dd6621-7
0.279
SEL-UNI-cd366922-2
0.279
MAR-LAB-efb042c5-6
0.279
MIH-UNI-6b9ca91a-6
0.279
DRA-CSI-47e38074-3
0.279
SAD-SAT-65574d3f-4
0.278
MAR-TRE-6a44bbf2-48
0.278
MAR-TRE-6a44bbf2-44
0.277
MAR-TRE-423310b6-70
0.277
ALE-UNK-fca05062-3
0.277
MAK-UNK-af83ef51-2
0.277
MAR-TRE-6a44bbf2-70
0.277
MAR-TRE-e86a56b5-45
0.276
SAD-SAT-6b5a89f0-10
0.275
SAD-SAT-d8079f6f-8
0.275
AAR-POS-d2a4d1df-39
0.274
MAK-UNK-a7b37c5e-3
0.274
MAR-TRE-1c920f6f-81
0.274
DAN-MCD-1a622181-1
0.274
DAN-MCD-9950a804-1
0.274
UNK-CYC-68f84b31-36
0.272
SAD-SAT-c989feaa-4
0.271
MAR-TRE-36bf7dba-94
0.271
ALE-UNK-fca05062-6
0.271
AAR-POS-0daf6b7e-10
0.271
DAV-CRI-3edb475e-4
0.271
TAT-ENA-80bfd3e5-36
0.270
MAT-POS-fa06b69f-5
0.270
AAR-POS-fca48359-12
0.269
MAR-TRE-87acfbcc-18
0.269
FAR-UNI-9a76d7b5-1
0.269
MAK-UNK-10dfa458-39
0.269
DRA-CSI-47e38074-2
0.268
ROD-UFR-d767f115-1
0.268
BAR-COM-4e090d3a-19
0.267
GIA-UNK-3f36037a-4
0.267
SAN-PRS-52b81272-2
0.267
MAT-POS-b5746674-59
0.267
WIL-LEE-23e8b574-1
0.267
SAD-SAT-2fd372d1-2
0.266
MAR-TRE-6a44bbf2-91
0.266
MAK-UNK-15efde89-1
0.266
GIA-UNK-595fac82-5
0.266
DAN-MCD-b3a5626f-1
0.265
DAN-MCD-9b81d1fa-1
0.265
MAK-UNK-07311286-2
0.265
SAD-SAT-d8079f6f-7
0.264
LAU-FAC-e2c8b4ad-1
0.264
MAR-TRE-0fda4e82-1
0.263
NAU-LAT-81109c57-5
0.263
NAU-LAT-64f4b287-9
0.262
MAR-TRE-6a44bbf2-21
0.262
MAK-UNK-7c9d1431-9
0.262
MAR-TRE-6a44bbf2-5
0.262
JUA-UNI-b93289a4-6
0.262
MAR-TRE-1c920f6f-96
0.260
FAR-UNI-124f5ee8-1
0.260