Molecular Properties | |
SMILES: | C[O+]C(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 |
MW: | 287.746 |
Fraction sp3: | 0.19 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 44.16 |
cLogP: | 4.251 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
oxonium
charged oxygen or sulfur atoms
Ester
AAR-POS-d2a4d1df-30
AAR-POS-fca48359-19
0.746
MAK-UNK-0d6072ac-3
0.746
GER-UNI-ec786817-1
0.746
AAR-POS-fca48359-20
0.746
MAK-UNK-0d6072ac-14
0.746
MAK-UNK-0d6072ac-4
0.746
MAK-UNK-0d6072ac-24
0.710
MAK-UNK-0d6072ac-5
0.689
MAK-UNK-10dfa458-28
0.600
MAK-UNK-0d6072ac-26
0.594
MAK-UNK-0d6072ac-13
0.471
MAK-UNK-0d6072ac-1
0.471
MAK-UNK-0d6072ac-23
0.471
MAK-UNK-0d6072ac-22
0.444
MAK-UNK-0d6072ac-11
0.438
MAK-UNK-0d6072ac-7
0.432
MAK-UNK-0d6072ac-16
0.425
MAK-UNK-0d6072ac-8
0.395
MAK-UNK-0d6072ac-10
0.395
MAK-UNK-0d6072ac-17
0.395
MAK-UNK-0d6072ac-20
0.387
MAK-UNK-0d6072ac-21
0.377
ALP-POS-4f3627cc-1
0.377
MAK-UNK-0d6072ac-12
0.372
MAK-UNK-0d6072ac-32
0.367
MAK-UNK-0d6072ac-27
0.364
MAK-UNK-0d6072ac-33
0.359
MAK-UNK-0d6072ac-9
0.359
MAK-UNK-0d6072ac-18
0.351
MAK-UNK-0d6072ac-31
0.346
MAK-UNK-0d6072ac-34
0.342
MAK-UNK-0d6072ac-30
0.325
MAK-UNK-0d6072ac-19
0.325
AAR-POS-fca48359-18
0.325
MAK-UNK-230cdef2-8
0.322
MAK-UNK-0d6072ac-28
0.317
MAK-UNK-230cdef2-9
0.315
MAK-UNK-0d6072ac-29
0.313
MAK-UNK-10dfa458-34
0.309
MAK-UNK-230cdef2-2
0.295
MAK-UNK-230cdef2-1
0.292
MAR-UCB-195bc32d-11
0.287
MAK-UNK-10dfa458-37
0.286
MAK-UNK-10dfa458-33
0.286
MAK-UNK-230cdef2-5
0.278
SAN-PRS-3c4a6997-1
0.275
MAK-UNK-230cdef2-4
0.272
MAK-UNK-230cdef2-7
0.268
MAR-TRE-fd17a9b8-32
0.265
MAK-UNK-230cdef2-6
0.265
DAR-DIA-eace69ff-37
0.257
MAR-TRE-66ac689e-80
0.247
MAK-UNK-0d6072ac-38
0.247
MAT-POS-590ac91e-51
0.245
MAK-UNK-0d6072ac-36
0.244
MAT-POS-590ac91e-42
0.242
MAT-POS-590ac91e-55
0.240
GAB-REV-70cc3ca5-16
0.238
MAT-POS-590ac91e-58
0.237
MAR-TRE-9d18ae8c-92
0.237
JAN-GHE-83b26c96-2
0.236
MAR-TRE-4f781e27-70
0.235
SAM-UNK-2684b532-5
0.233
MAK-UNK-0d6072ac-37
0.233
SAM-UNK-2684b532-7
0.233
MAK-UNK-0d6072ac-35
0.233
MAR-TRE-66ac689e-79
0.233
MAT-POS-590ac91e-66
0.232
MAK-UNK-0d6072ac-2
0.232
JAN-GHE-83b26c96-3
0.232
MAT-POS-590ac91e-43
0.230
MAT-POS-590ac91e-70
0.230
TRY-UNI-714a760b-18
0.230
JAN-GHE-83b26c96-4
0.230
JAN-GHE-83b26c96-5
0.230
TRY-UNI-2eddb1ff-5
0.230
TRY-UNI-2eddb1ff-4
0.230
MAR-TRE-66ac689e-49
0.229
MAR-TRE-799db12b-100
0.227
JAN-GHE-83b26c96-6
0.225
TRY-UNI-714a760b-15
0.225
LON-WEI-0a73fcb8-6
0.224
MAR-TRE-8190bb11-72
0.224
MAR-TRE-92684b97-32
0.223
WIL-UNI-d4749f31-4
0.222
MAR-TRE-66ac689e-64
0.222
MAR-UCB-fd2e172f-41
0.221
PET-UNK-b38839dc-18
0.221
MAK-UNK-f203cb68-2
0.221
MAK-UNK-919546f0-6
0.221
SAM-UNK-2684b532-6
0.220
BRU-CON-67e07230-1
0.220
LON-WEI-1908424e-9
0.219
RYA-UNI-6f4cba40-1
0.218
MAR-TRE-799db12b-82
0.217
MAT-POS-590ac91e-53
0.212
JON-UIO-066ce08b-7
0.212
ALP-POS-bea7b391-1
0.212
MAR-TRE-66ac689e-82
0.211
MAT-POS-590ac91e-54
0.211