Molecular Properties | |
SMILES: | [O-][S+](Cc1cn[nH]c1)Cc1cccc(Cl)c1 |
MW: | 254.03 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.74 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
ALE-HEI-f28a35b5-9
MIC-UNK-5ce21166-1
0.561
MIC-UNK-66895286-1
0.394
MIC-UNK-66895286-2
0.368
JUL-TUD-06b2044f-43
0.341
VLA-UCB-00f2c2b3-7
0.312
EDG-MED-0da5ad92-21
0.306
JAN-GHE-5a013bed-4
0.288
RUB-POS-1325a9ea-13
0.287
JAN-GHE-5a013bed-9
0.286
JAN-GHE-5a013bed-6
0.286
MAT-POS-199e2e7c-2
0.284
MIC-UNK-d935700b-1
0.282
EDG-MED-0da5ad92-6
0.280
TRY-UNI-714a760b-6
0.280
JAN-GHE-5a013bed-5
0.279
JAN-GHE-5a013bed-11
0.278
VLA-UNK-0ffe3317-4
0.275
EDJ-MED-c8e7a002-12
0.275
JAN-GHE-5a013bed-10
0.274
JAN-GHE-83b26c96-17
0.273
EDG-MED-0da5ad92-1
0.273
JAN-GHE-83b26c96-15
0.273
RUB-POS-1325a9ea-12
0.272
PET-UNK-158bee2a-3
0.270
MIC-UNK-d935700b-2
0.268
DAR-DIA-076fb6ea-7
0.267
ALP-POS-95b75b4d-6
0.267
ALP-POS-f13221e1-4
0.266
JOH-UNI-a38a7bdd-4
0.265
NAU-LAT-e1818702-10
0.264
JAN-GHE-5a013bed-7
0.264
BAR-COM-ebf5acce-5
0.264
AAR-RCN-845f9611-1
0.263
JOH-UNI-61f30276-1
0.263
BAR-COM-ebf5acce-2
0.261
PET-UNK-12d8d43f-2
0.261
PET-UNK-158bee2a-4
0.260
JAN-GHE-5a013bed-8
0.260
EDG-MED-0da5ad92-2
0.260
BAR-COM-ebf5acce-4
0.258
MED-COV-4280ac29-3
0.258
AAR-POS-0daf6b7e-29
0.258
JOH-IMS-1436231f-6
0.258
MIC-UNK-42806bd5-2
0.257
JAN-GHE-5a013bed-1
0.257
ALP-POS-8b8a49e1-5
0.257
VLA-UNK-411a133b-2
0.257
JAG-UCB-ef2c0e8e-5
0.257
ALP-POS-90e38439-3
0.257
SAM-UNK-2684b532-13
0.253
VLA-UNK-411a133b-1
0.253
PET-UNK-8df914d1-4
0.253
ALP-POS-95b75b4d-8
0.253
AAR-RCN-28a8122f-1
0.253
EDG-MED-0da5ad92-13
0.253
EDG-MED-0da5ad92-16
0.253
EDJ-MED-49816e9b-2
0.253
PET-UNK-bbe8d7ff-1
0.253
ALP-POS-95b75b4d-11
0.253
PET-UNK-bbe8d7ff-2
0.253
DAR-DIA-076fb6ea-6
0.253
ALP-POS-91609ae9-3
0.253
EDJ-MED-6e43a462-10
0.250
DAR-DIA-56cf811e-2
0.250
JOH-UNI-a38a7bdd-3
0.250
DAR-DIA-076fb6ea-2
0.250
DAR-DIA-076fb6ea-16
0.250
SAD-SAT-7d5528d9-13
0.250
EDJ-MED-49816e9b-3
0.250
MAR-TRE-4f781e27-47
0.250
JIN-POS-6dc588a4-3
0.250
PET-UNK-158bee2a-2
0.250
JIN-POS-6dc588a4-4
0.250
RUB-POS-1325a9ea-19
0.250
SAD-SAT-7d5528d9-12
0.250
PET-UNK-8df914d1-5
0.250
SAM-UNK-2684b532-12
0.250
EDG-MED-0da5ad92-12
0.250
JAN-GHE-5a013bed-2
0.250
EDJ-MED-6e43a462-3
0.250
JOH-UNI-a38a7bdd-2
0.247
ALP-POS-95b75b4d-7
0.247
JAN-GHE-f4ca5a00-17
0.247
JOH-UNI-7a6e29a5-2
0.247
PET-UNK-8df914d1-3
0.247
MAT-POS-0bc33984-2
0.247
EDG-MED-0da5ad92-15
0.247
BAR-COM-ebf5acce-10
0.244
DAR-DIA-56cf811e-6
0.244
SAD-SAT-7d5528d9-40
0.244
MAT-POS-c20a539d-2
0.244
EDJ-MED-6e43a462-9
0.244
EDG-MED-0da5ad92-18
0.244
ABI-SAT-4d06482b-2
0.244
ALP-POS-8b8a49e1-8
0.244
ALP-POS-90e38439-2
0.243
MIC-UNK-42806bd5-1
0.243
MAT-POS-500ca5bf-2
0.243
DAR-DIA-076fb6ea-4
0.242
DAR-DIA-076fb6ea-13
0.242