Molecular Properties | |
SMILES: | O=C(Cc1cccc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F |
MW: | 351.07 |
Fraction sp3: | 0.06 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 29.1 |
cLogP: | 4.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
halogenated ring
halogenated ring
Pentafluorobenzenes
high halogen content (>3)
pentahalophenyl
poly_sub_atomatic
RAL-THA-2d450e86-19
0.359
BAR-COM-0f94fc3d-39
0.354
RAL-THA-2d450e86-37
0.351
RAL-THA-2d450e86-23
0.346
LON-WEI-9739a092-8
0.344
AAR-POS-d2a4d1df-40
0.342
MED-COV-4280ac29-31
0.342
JOO-IND-6372a4f3-4
0.342
NAU-LAT-2fed8305-8
0.338
MAK-UNK-c749d764-11
0.338
DAR-DIA-23aa0b97-20
0.333
VLA-UNK-b9c208fe-2
0.333
PET-UNK-8922bd3c-1
0.329
JOO-IND-6372a4f3-6
0.329
AAR-UNI-c25c2f1e-99
0.325
RUB-POS-1325a9ea-18
0.325
MAT-POS-afd4d4fd-1
0.325
RAL-THA-2d450e86-20
0.325
MAT-POS-fce787c2-1
0.321
RAL-THA-2d450e86-14
0.321
MAT-POS-afd4d4fd-3
0.316
RAL-THA-2d450e86-36
0.316
RAL-THA-2d450e86-22
0.313
RAL-THA-2d450e86-16
0.312
MAK-UNK-919546f0-4
0.311
RAL-THA-2d450e86-25
0.309
PET-UNK-dd44aeb6-1
0.309
JOO-IND-6372a4f3-5
0.308
MIC-UNK-16ccb665-3
0.306
DAR-DIA-6a49afbe-8
0.305
JOH-UNI-6fede743-2
0.305
RAL-THA-2d450e86-6
0.305
RAL-THA-2d450e86-10
0.304
JOH-UNI-ee5ed7c8-11
0.302
JOH-UNI-3fc3434e-11
0.302
DAR-DIA-23aa0b97-19
0.301
MAK-UNK-90d0606b-7
0.301
MAK-UNK-c749d764-32
0.301
VLA-UNK-9a7dc93f-1
0.301
RAL-THA-2d450e86-34
0.300
MAK-UNK-3f402c2b-14
0.300
DAR-DIA-6a49afbe-1
0.300
RAL-THA-2d450e86-7
0.299
JAG-UCB-a3ef7265-4
0.299
RAL-THA-2d450e86-38
0.299
RAL-THA-2d450e86-21
0.298
JOH-UNI-6fede743-4
0.296
RAL-THA-2d450e86-26
0.296
MAT-POS-fce787c2-2
0.295
RAL-THA-2d450e86-35
0.295
DAR-DIA-6a49afbe-2
0.294
DAR-DIA-8e329c92-9
0.294
DAR-DIA-6a49afbe-7
0.289
RAL-THA-2d450e86-15
0.289
RAL-THA-2d450e86-9
0.289
UNK-UNK-2ede4078-59
0.289
RAL-THA-2d450e86-8
0.289
DAR-DIA-6a49afbe-9
0.287
ADA-UCB-6c2cb422-1
0.287
MAT-POS-23a8a11a-1
0.287
MED-COV-4280ac29-5
0.287
VLA-UNK-9a7dc93f-5
0.287
JOH-UNI-3fc3434e-8
0.286
JOH-UNI-ee5ed7c8-8
0.286
RAL-THA-1d44ff04-3
0.284
PET-UNK-c9c1e0d8-1
0.284
MAT-POS-afd4d4fd-2
0.284
RAL-THA-2d450e86-39
0.284
RAL-THA-2d450e86-40
0.284
ERI-UCB-ce40166b-6
0.283
RAL-THA-2d450e86-2
0.282
AAR-POS-d2a4d1df-39
0.282
ERI-UCB-ce40166b-2
0.281
VLA-UNK-b9c208fe-1
0.281
NAU-LAT-2fed8305-5
0.280
RAL-THA-2d450e86-1
0.280
ERI-UCB-ce40166b-1
0.280
ERI-UCB-ce40166b-8
0.280
RAL-THA-2d450e86-30
0.278
ERI-UCB-ce40166b-5
0.278
PET-UNK-8c422e11-2
0.278
MAK-UNK-e05327b2-8
0.278
MAT-POS-281d2ee9-1
0.278
PET-UNK-bb7ffe78-2
0.278
PET-UNK-dd44aeb6-2
0.277
RAL-THA-2d450e86-27
0.277
RAL-THA-2d450e86-24
0.277
MAT-POS-6344a35d-1
0.276
ERI-UCB-ce40166b-7
0.276
DAR-DIA-fb20be43-2
0.275
KRI-MAR-d2e3ef86-6
0.275
ERI-UCB-ce40166b-4
0.275
RAL-THA-2d450e86-31
0.274
MIC-UNK-c66144cb-2
0.274
VLA-UNK-9a7dc93f-2
0.273
NAU-LAT-a5c7d7cb-8
0.273
EDJ-MED-cf4b0d25-4
0.273
VLA-UNK-9a7dc93f-6
0.273
MIC-UNK-df9dcda8-2
0.272
PET-UNK-8c422e11-4
0.272