Molecular Properties | |
SMILES: | O=C1c2cc(F)c(Cl)cc2C(c2ccccc2)C(=O)C1c1cccnc1 |
MW: | 365.791 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 47.03 |
cLogP: | 4.5552 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
beta-keto/anhydride
Ketones
Ketone
Dye 11
LON-WEI-8f408cad-5
MAK-UNK-9e4a73aa-3
0.494
MAK-UNK-9e4a73aa-2
0.476
MAK-UNK-9e4a73aa-6
0.407
MAK-UNK-9e4a73aa-4
0.378
RAI-NOV-c18e0037-6
0.304
RAI-NOV-c18e0037-2
0.303
MAK-UNK-9e4a73aa-27
0.303
MAK-UNK-9e4a73aa-24
0.303
MAK-UNK-9e4a73aa-23
0.303
MAK-UNK-9e4a73aa-26
0.303
MAK-UNK-9e4a73aa-25
0.303
MAK-UNK-9e4a73aa-22
0.303
MAK-UNK-9e4a73aa-12
0.300
MAK-UNK-9e4a73aa-8
0.297
RAI-NOV-c18e0037-5
0.287
MAK-UNK-9e4a73aa-7
0.283
MAK-UNK-9e4a73aa-18
0.276
MAK-UNK-9e4a73aa-9
0.275
MAK-UNK-9e4a73aa-17
0.271
DAR-DIA-fc970077-4
0.271
JAN-GHE-83b26c96-18
0.271
DAR-DIA-fc970077-2
0.262
MAK-UNK-9e4a73aa-19
0.261
MAK-UNK-9e4a73aa-35
0.260
DAR-DIA-fc970077-12
0.256
MAK-UNK-9e4a73aa-14
0.255
MAK-UNK-9e4a73aa-21
0.255
MAK-UNK-9e4a73aa-20
0.253
MAK-UNK-9e4a73aa-34
0.253
MAK-UNK-9e4a73aa-32
0.253
RAI-NOV-c18e0037-3
0.250
MAK-UNK-9e4a73aa-15
0.250
ALP-POS-fe871b40-10
0.248
ALP-UNI-ba800595-2
0.248
JUL-TUD-06b2044f-90
0.245
MAK-UNK-9e4a73aa-31
0.245
MAK-UNK-9e4a73aa-36
0.245
MAK-UNK-f0bfc2e0-2
0.245
PET-UNK-1b92fa34-3
0.243
MAK-UNK-ec98eaf6-26
0.243
JAV-UNI-4503e1e6-1
0.242
MAK-UNK-9e4a73aa-33
0.242
MAK-UNK-9e4a73aa-13
0.242
MAR-TRE-a9136c7b-47
0.242
MAK-UNK-9e4a73aa-11
0.242
PET-UNK-1b92fa34-4
0.241
MAK-UNK-9e4a73aa-10
0.239
EDJ-MED-015fb6b4-3
0.239
EDJ-MED-cf877e1d-1
0.239
DAR-DIA-fc970077-7
0.239
DAR-DIA-fc970077-8
0.239
MAK-UNK-9e4a73aa-1
0.238
PET-UNK-f4e47ebd-6
0.236
MAT-POS-ec6d90b7-7
0.236
EDJ-MED-611d11e7-6
0.236
MAT-POS-96f51285-5
0.236
ALP-POS-d91e0300-1
0.236
MAT-POS-a13804f0-2
0.236
ALP-POS-fe871b40-9
0.236
MAT-POS-a13804f0-3
0.236
RAL-THA-05e671eb-10
0.236
DAV-CRI-1c77f7a9-1
0.235
ZAC-MCD-b48cf8fd-1
0.235
PET-UNK-f4e47ebd-14
0.234
MAT-POS-64942dd0-3
0.234
ALP-POS-fe871b40-15
0.234
MAT-POS-a5ef2d74-1
0.234
KEN-MCD-4729dc98-1
0.234
PET-UNK-f4e47ebd-5
0.234
EDJ-MED-611d11e7-12
0.234
MAT-POS-ec6d90b7-3
0.234
NIM-UNI-b87c0f72-2
0.233
NIM-UNI-b87c0f72-1
0.233
MAT-POS-64942dd0-2
0.232
PET-UNK-03fd2068-5
0.232
CHR-SOS-7098f804-16
0.232
MAK-UNK-9e4a73aa-16
0.232
MAR-TRE-74c6519b-51
0.232
KEI-TRE-d5e2018a-8
0.231
CHR-SOS-7098f804-14
0.231
MAK-UNK-702fb7d3-2
0.231
DAR-DIA-fc970077-3
0.231
PET-UNK-f4e47ebd-13
0.230
MAK-UNK-9e4a73aa-28
0.229
WIL-UNI-1faa9b10-8
0.229
MAT-POS-64942dd0-1
0.228
VLA-UNK-792b5d03-2
0.228
PET-UNK-9b23ef84-3
0.227
PET-UNK-4dc48bbe-9
0.227
EDJ-MED-ce467fd5-2
0.227
MAK-UNK-9e4a73aa-29
0.227
BEN-DND-031a96cc-3
0.227
DUN-NEW-d8381160-1
0.226
VLA-UNK-792b5d03-4
0.226
EDJ-MED-611d11e7-3
0.225
MAT-POS-96f51285-4
0.225
VLA-UNK-792b5d03-1
0.225
MAK-UNK-702fb7d3-19
0.225
MAK-UNK-702fb7d3-21
0.225
RAI-NOV-c18e0037-4
0.225