Molecular Properties | |
SMILES: | [O-][S+](Cc1cccnc1)Cc1cccc(Cl)c1 |
MW: | 265.03 |
Fraction sp3: | 0.15 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 35.95 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
ALE-HEI-f28a35b5-9
MIC-UNK-5ce21166-2
0.561
EDG-MED-0da5ad92-2
0.379
JAN-GHE-83b26c96-16
0.342
MAR-TRE-b77b7921-33
0.341
PET-UNK-e8c7a26f-2
0.338
ALP-POS-95b75b4d-6
0.324
BEN-DND-61647d40-18
0.324
MED-COV-4280ac29-3
0.321
JAN-GHE-5a013bed-8
0.319
JAN-GHE-83b26c96-19
0.313
DAR-DIA-23aa0b97-14
0.313
WAR-XCH-eb7b662f-7
0.313
JOR-UNI-2fc98d0b-7
0.313
EDG-MED-0da5ad92-1
0.311
JAN-GHE-83b26c96-15
0.311
SAM-UNK-2684b532-13
0.310
ALP-POS-95b75b4d-8
0.310
CHR-SOS-7098f804-12
0.309
DAR-DIA-43a5904b-5
0.309
DAR-DIA-43a5904b-6
0.309
MAK-UNK-6ca90168-23
0.307
DAR-DIA-43a5904b-1
0.305
JIN-POS-6dc588a4-16
0.304
PET-UNK-bbe8d7ff-1
0.304
DAR-DIA-bd041b9b-20
0.303
BEN-DND-61647d40-17
0.301
TRY-UNI-714a760b-6
0.301
EDG-MED-0da5ad92-6
0.301
BAR-COM-ebf5acce-15
0.301
ADA-UNI-f8e79267-11
0.300
JOH-UNI-a38a7bdd-4
0.300
JOH-UNI-61f30276-1
0.299
JOH-UNI-abfda500-4
0.293
JOH-UNI-abfda500-5
0.293
JAN-GHE-83b26c96-17
0.293
ANN-UNI-98d2bf15-3
0.293
DAR-DIA-bd041b9b-17
0.292
DAR-DIA-bd041b9b-29
0.292
DAR-DIA-43a5904b-13
0.292
MAR-TRE-7f7bb9f0-74
0.292
BAR-COM-ebf5acce-4
0.291
PET-UNK-158bee2a-2
0.290
JAN-GHE-5a013bed-9
0.290
BAR-COM-ebf5acce-3
0.289
DAR-DIA-bd041b9b-19
0.289
PET-UNK-bbe8d7ff-2
0.287
MAT-POS-bb423b95-2
0.287
ALP-POS-95b75b4d-11
0.287
ERI-UCB-ce40166b-24
0.287
SAM-UNK-2684b532-12
0.286
DAR-DIA-23aa0b97-16
0.286
MAT-POS-bb423b95-5
0.286
ALP-POS-f13221e1-4
0.286
RUB-POS-1325a9ea-19
0.286
SAM-UNK-2684b532-11
0.286
DAR-DIA-076fb6ea-6
0.286
ANT-DIA-b7f58f21-1
0.286
JIN-POS-6dc588a4-3
0.286
JIN-POS-6dc588a4-4
0.286
NIM-UNI-b87c0f72-1
0.284
NIM-UNI-b87c0f72-2
0.284
ADA-UNI-f8e79267-12
0.284
DAR-DIA-076fb6ea-16
0.284
JOH-UNI-a38a7bdd-3
0.284
DAR-DIA-076fb6ea-2
0.284
DAR-DIA-56cf811e-2
0.284
SAD-SAT-7d5528d9-17
0.284
AAR-RCN-845f9611-1
0.284
JAN-GHE-5a013bed-5
0.284
ADA-UNI-f8e79267-8
0.282
ERI-UCB-ce40166b-23
0.282
ALP-POS-95b75b4d-7
0.282
VLA-UCB-00f2c2b3-7
0.282
JOH-UNI-7a6e29a5-2
0.282
JAN-GHE-f4ca5a00-17
0.282
JAN-GHE-5a013bed-11
0.282
MIC-UNK-66895286-1
0.282
MAR-TRE-d3c2bf0e-55
0.281
SAD-SAT-7d5528d9-18
0.280
PET-UNK-4dc48bbe-5
0.280
EDG-MED-0da5ad92-18
0.280
DAR-DIA-43a5904b-14
0.280
DAV-CRI-1c77f7a9-4
0.280
BAR-COM-ebf5acce-2
0.279
JIN-POS-6dc588a4-2
0.278
MAT-POS-bb423b95-1
0.278
ALP-POS-95b75b4d-5
0.278
VLA-UNK-0ffe3317-4
0.278
MAT-POS-bb423b95-4
0.278
JAN-GHE-5a013bed-1
0.278
VLA-UNK-411a133b-2
0.278
JAN-GHE-5a013bed-10
0.278
ADA-UNI-f8e79267-10
0.277
DAR-DIA-43a5904b-12
0.277
PET-UNK-4dc48bbe-2
0.276
BAR-COM-ebf5acce-10
0.276
DRR-IMP-38dce17f-4
0.275
ALP-POS-0c2c77e1-1
0.275
MAT-POS-bb423b95-3
0.275
RUB-POS-1325a9ea-12
0.275