Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cnc2ccc([N+](=O)[O-])cc2n1 |
MW: | 309.09 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 110.05 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-06 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
AAR-POS-d2a4d1df-11
0.362
SID-ELM-2583a2cd-5
0.361
SID-ELM-2583a2cd-14
0.346
SID-ELM-2583a2cd-11
0.346
SID-ELM-b654bfa2-6
0.341
SID-ELM-2583a2cd-6
0.338
SID-ELM-b654bfa2-3
0.338
SID-ELM-8b394441-7
0.333
SID-ELM-8b394441-1
0.333
SID-ELM-8b394441-5
0.333
SID-ELM-8b394441-3
0.333
SID-ELM-8b394441-12
0.333
SID-ELM-b654bfa2-4
0.333
SID-ELM-b654bfa2-1
0.329
TRY-UNI-714a760b-4
0.329
ALE-HEI-f28a35b5-1
0.329
SID-ELM-2583a2cd-7
0.329
MAK-UNK-30aad1f1-3
0.326
MAK-UNK-30aad1f1-17
0.325
SID-ELM-2583a2cd-20
0.325
MAK-UNK-129dcd6f-6
0.325
SID-ELM-b654bfa2-2
0.325
SID-ELM-8b394441-6
0.325
HAN-NEW-5f56c3bc-1
0.325
WIL-UNI-5578df48-13
0.322
EMI-TUK-a58865cc-2
0.322
SID-ELM-8b394441-15
0.321
SID-ELM-b654bfa2-7
0.321
MAK-UNK-30aad1f1-16
0.318
PET-SGC-0f1d26ed-1
0.318
SID-ELM-8b394441-9
0.318
CHR-SOS-7098f804-6
0.315
SID-ELM-b654bfa2-22
0.314
WIL-UNI-5578df48-11
0.313
SID-ELM-2583a2cd-17
0.313
WIL-UNI-5578df48-12
0.313
SID-ELM-2583a2cd-22
0.313
PET-SGC-0f1d26ed-2
0.313
MAK-UNK-30aad1f1-2
0.311
WIL-UNI-5578df48-10
0.309
MAK-UNK-30aad1f1-4
0.305
MAK-UNK-30aad1f1-15
0.304
MAK-UNK-30aad1f1-9
0.304
TRY-UNI-714a760b-8
0.304
MAK-UNK-129dcd6f-8
0.303
BEN-DND-031a96cc-8
0.303
SID-ELM-b654bfa2-17
0.302
SID-ELM-b654bfa2-18
0.302
SID-ELM-8b394441-8
0.299
RED-RED-10c9212c-30
0.298
SID-ELM-8b394441-13
0.294
SID-ELM-b654bfa2-19
0.294
SID-ELM-2583a2cd-9
0.294
NIC-UNI-0cb6411b-1
0.292
SID-ELM-b654bfa2-5
0.291
SID-ELM-8b394441-11
0.291
SID-ELM-8b394441-14
0.291
MAK-UNK-129dcd6f-18
0.290
MAX-MCD-16e3709a-1
0.290
AAR-POS-fca48359-1
0.289
MAK-UNK-129dcd6f-17
0.289
SID-ELM-8b394441-10
0.287
MAK-UNK-129dcd6f-7
0.286
DRV-DNY-ae159ed1-9
0.283
MAK-UNK-129dcd6f-16
0.283
SID-ELM-2583a2cd-10
0.282
SID-ELM-2583a2cd-8
0.282
MAK-UNK-129dcd6f-1
0.280
AAR-UNI-c25c2f1e-65
0.279
WIL-UNI-5578df48-6
0.278
GIA-UNK-3f36037a-7
0.278
WIL-UNI-5578df48-9
0.278
MAK-UNK-129dcd6f-15
0.278
KEI-TRE-d5e2018a-2
0.276
DAV-IMP-59dd6621-10
0.275
WAR-XCH-79d12f6e-10
0.273
WAR-XCH-b0339bbe-20
0.273
MAR-TRE-9d18ae8c-52
0.272
KEI-TRE-d5e2018a-90
0.272
HAN-NEW-5f56c3bc-3
0.270
DAR-DIA-03336633-1
0.270
CHR-SOS-7098f804-5
0.269
WAR-XCH-79d12f6e-3
0.269
MAR-TRE-e86a56b5-66
0.268
AAR-UNI-c25c2f1e-40
0.267
MAK-UNK-de8f6d00-7
0.266
CHR-SOS-7098f804-9
0.265
WAR-XCH-b0339bbe-9
0.265
KEI-TRE-d5e2018a-4
0.263
TAT-ENA-80bfd3e5-23
0.263
DAR-DIA-fc970077-9
0.263
MAK-UNK-de8f6d00-8
0.262
AAR-UNI-c25c2f1e-31
0.261
MAK-UNK-de8f6d00-6
0.261
GAB-FAC-da17721d-1
0.261
JOH-SUS-bab12148-1
0.260
MAK-UNK-de8f6d00-1
0.259
AAR-UNI-c25c2f1e-30
0.256
DRV-DNY-ae159ed1-8
0.256
WAR-XCH-79d12f6e-1
0.253