Molecular Properties | |
SMILES: | Cc1onc2c1C(c1cccc(Cl)c1)[S+]([O-])C2c1cncc2ccccc12 |
MW: | 394.05 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 61.98 |
cLogP: | 5.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MIC-UNK-4e776895-2
0.639
MIC-UNK-4e776895-4
0.593
MIC-UNK-4e776895-5
0.580
MIC-UNK-4e776895-1
0.371
MIC-UNK-5b1ead09-4
0.347
MIC-UNK-5b1ead09-3
0.347
PET-UNK-431b3bfb-1
0.340
ALP-UNI-58319883-2
0.340
PET-UNK-689df078-4
0.333
BEN-DND-d1eb1f41-7
0.333
MAT-POS-24589f88-14
0.333
VLA-UNK-db5e3064-2
0.330
MIC-UNK-0a05c952-2
0.327
PET-UNK-689df078-2
0.327
VLA-UNK-db5e3064-1
0.327
GIA-UNK-80c9bc96-1
0.327
EDG-MED-5d232de5-8
0.327
EDG-MED-5d232de5-7
0.327
PET-UNK-c9c1e0d8-4
0.327
PET-UNK-c9c1e0d8-3
0.321
MIC-UNK-d854bf4c-3
0.319
MIC-UNK-0a05c952-1
0.318
PET-UNK-4dc48bbe-6
0.317
PET-UNK-7b413b46-2
0.317
PET-UNK-7b413b46-6
0.317
VLA-UCB-1dbca3b4-6
0.317
VLA-UCB-1dbca3b4-17
0.317
PET-UNK-7a31b064-2
0.315
PET-UNK-5ddd54c7-1
0.312
PET-UNK-7a31b064-1
0.312
PET-UNK-5ddd54c7-2
0.312
PET-UNK-3e354a91-1
0.312
PET-UNK-689df078-3
0.311
MIC-UNK-d854bf4c-1
0.308
PET-UNK-abc197b8-1
0.306
PET-UNK-689df078-1
0.306
VLA-UCB-1dbca3b4-18
0.306
PET-UNK-7b413b46-1
0.306
PET-UNK-7b413b46-5
0.306
VLA-UCB-1dbca3b4-10
0.306
MIC-UNK-d854bf4c-7
0.305
MIC-UNK-9582b2c5-2
0.303
MIC-UNK-9582b2c5-1
0.303
DAR-DIA-5d6f1b43-3
0.302
PET-UNK-194f9da3-2
0.301
PET-UNK-7b413b46-4
0.300
PET-UNK-7b413b46-8
0.300
PET-UNK-7b413b46-7
0.297
PET-UNK-7b413b46-3
0.297
NAU-LAT-2fed8305-1
0.294
MIC-UNK-d854bf4c-5
0.294
DAR-DIA-5d6f1b43-9
0.292
PET-UNK-194f9da3-1
0.292
PET-UNK-94460c07-1
0.290
JOH-UNI-50ce7ec3-2
0.290
DAR-DIA-0d514e7d-36
0.288
DAR-DIA-6a49afbe-1
0.287
ALP-POS-76eab5ce-2
0.287
DAR-DIA-5d6f1b43-8
0.287
DAR-DIA-f6ee7aeb-6
0.287
ERI-UCB-d6de1f3c-7
0.286
DAR-DIA-5d6f1b43-14
0.286
PET-UNK-94460c07-2
0.286
VLA-UCB-1dbca3b4-12
0.286
PET-UNK-8922bd3c-1
0.284
PET-UNK-c0891748-10
0.283
PET-UNK-c0891748-4
0.283
DAR-DIA-5d6f1b43-20
0.282
DAR-DIA-5d6f1b43-33
0.280
DAR-DIA-2964957d-9
0.278
NAU-LAT-a5c7d7cb-8
0.278
MAT-POS-8695a11f-1
0.278
MAT-POS-d8472c4f-1
0.278
MAT-POS-8695a11f-3
0.278
VLA-UCB-1dbca3b4-13
0.278
DAR-DIA-5d6f1b43-19
0.277
MIC-UNK-02d7a284-1
0.277
DAR-DIA-5d6f1b43-24
0.277
VLA-UNK-70dd90ef-2
0.277
DAR-DIA-f6ee7aeb-1
0.276
VLA-UCB-1dbca3b4-3
0.276
DAR-DIA-0f7b7cd9-7
0.276
MAT-POS-983b399a-1
0.276
ALP-POS-477dc5b7-4
0.276
DAR-DIA-5d6f1b43-22
0.276
MIC-UNK-cdc2493e-18
0.276
EDJ-MED-159244ea-1
0.276
DAR-DIA-5d6f1b43-32
0.276
MAT-POS-54c4bf04-3
0.274
DAR-DIA-5d6f1b43-17
0.274
DAR-DIA-5d6f1b43-21
0.274
DAR-DIA-5d6f1b43-11
0.273
MIC-UNK-cdc2493e-17
0.272
ALP-POS-a577c8a2-1
0.272
EDJ-MED-e18764cb-2
0.272
MAT-POS-af1eef35-3
0.272
BEN-DND-d6f8d3c6-1
0.272
DAR-DIA-5d6f1b43-15
0.272
DAR-DIA-2964957d-1
0.272
DAR-DIA-5d6f1b43-25
0.271