Molecular Properties | |
SMILES: | Cc1ccncc1C1c2noc(C)c2C(c2cccc(Cl)c2)[S+]1[O-] |
MW: | 358.05 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 61.98 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MIC-UNK-4e776895-5
0.720
MIC-UNK-4e776895-4
0.671
MIC-UNK-4e776895-3
0.639
MIC-UNK-4e776895-1
0.577
EDJ-MED-49816e9b-6
0.319
VLA-UCB-1dbca3b4-4
0.315
EDJ-MED-e66f2cc5-1
0.312
EDJ-MED-49816e9b-4
0.312
EDJ-MED-e66f2cc5-2
0.311
PET-UNK-eda34f30-1
0.309
PET-UNK-7a31b064-4
0.303
PET-UNK-7a31b064-3
0.299
JAN-GHE-83b26c96-25
0.286
JAN-GHE-83b26c96-24
0.278
PET-UNK-4dc48bbe-1
0.277
PET-UNK-4dc48bbe-7
0.272
ALP-POS-95b75b4d-11
0.271
MAR-TRE-4b834d9a-26
0.269
VLA-UCB-00f2c2b3-4
0.268
EDJ-MED-49816e9b-1
0.267
BAR-COM-ebf5acce-2
0.265
VLA-UCB-00f2c2b3-3
0.264
JAN-GHE-83b26c96-22
0.261
EDG-MED-0da5ad92-10
0.261
MAK-UNK-f203cb68-18
0.261
PET-UNK-5eca9d1d-2
0.260
PET-UNK-94460c07-3
0.260
ADA-UCB-6c2cb422-5
0.260
ADA-UCB-6c2cb422-7
0.259
JAN-GHE-83b26c96-21
0.258
JAG-UCB-cedd89ab-1
0.258
PET-UNK-bbe8d7ff-1
0.258
PET-UNK-94460c07-4
0.257
JAG-UCB-cedd89ab-8
0.256
TRY-UNI-714a760b-12
0.256
JAN-GHE-83b26c96-18
0.256
JAN-GHE-83b26c96-23
0.255
JAN-GHE-83b26c96-9
0.255
SAD-SAT-7d5528d9-17
0.255
TRY-UNI-714a760b-6
0.253
EDG-MED-0da5ad92-6
0.253
MAK-UNK-6ca90168-24
0.253
SAD-SAT-7d5528d9-18
0.253
PET-UNK-5eca9d1d-1
0.253
DAR-DIA-43a5904b-5
0.250
DAR-DIA-43a5904b-6
0.250
ADA-UCB-6c2cb422-6
0.250
EDG-MED-0da5ad92-3
0.250
EDG-MED-0da5ad92-19
0.250
PET-UNK-5eca9d1d-3
0.250
VLA-UCB-00f2c2b3-5
0.250
MIC-UNK-50cce87d-7
0.248
EDG-MED-0da5ad92-1
0.247
JAN-GHE-83b26c96-17
0.247
JAN-GHE-83b26c96-15
0.247
NIM-UNI-b87c0f72-1
0.245
NIM-UNI-b87c0f72-2
0.245
WIL-UNI-2e73223c-4
0.245
TRY-UNI-714a760b-18
0.245
TRY-UNI-2eddb1ff-5
0.245
TRY-UNI-2eddb1ff-4
0.245
DAR-DIA-2964957d-2
0.245
JAN-GHE-83b26c96-4
0.245
JAN-GHE-83b26c96-5
0.245
DAV-CRI-1c77f7a9-4
0.243
MAK-UNK-f203cb68-4
0.243
SAD-SAT-7d5528d9-13
0.243
DAR-DIA-2964957d-8
0.242
JOH-UNI-a38a7bdd-3
0.242
EDG-MED-0da5ad92-5
0.242
ALP-POS-f13221e1-4
0.242
MIC-UNK-50cce87d-11
0.241
DAR-DIA-43a5904b-9
0.240
JAN-GHE-83b26c96-20
0.240
EDG-MED-0da5ad92-11
0.240
SAD-SAT-7d5528d9-7
0.238
PET-UNK-7a31b064-6
0.238
JAN-GHE-83b26c96-10
0.237
SAD-SAT-7d5528d9-4
0.236
DAR-DIA-43a5904b-1
0.235
BAR-COM-0f94fc3d-38
0.235
MAT-POS-1e5f28a7-1
0.235
JOH-UNI-a38a7bdd-7
0.234
DAR-DIA-076fb6ea-7
0.233
BAR-COM-0f94fc3d-25
0.232
SAM-UNK-2684b532-2
0.232
PET-UNK-bbe8d7ff-2
0.232
BAR-COM-ebf5acce-13
0.231
MAK-UNK-f203cb68-19
0.231
SAD-SAT-7d5528d9-12
0.231
JOH-UNI-a38a7bdd-9
0.231
BAR-COM-ebf5acce-6
0.231
DAR-DIA-076fb6ea-16
0.230
JAN-GHE-83b26c96-8
0.230
DAR-DIA-076fb6ea-2
0.230
JOH-UNI-a38a7bdd-4
0.230
PET-UNK-7a31b064-5
0.230
SAM-UNK-2684b532-1
0.230
DAR-DIA-56cf811e-2
0.230
UNK-UNK-2ede4078-35
0.229