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Specs ID search result
AE-641/06298062
is available in 283 mg
Compound details
MDL #:
MFCD03830954
Formula:
C15 H12 Cl N O3
Weight:
289.72
Chiral info:
Not available
Name
:
2-{[(2-chlorobenzyl)amino]carbonyl}benzoic acid
SMILES
:
OC(=O)c2ccccc2(C(=O)NCc1ccccc1Cl)
InChI
TM
:
InChI=1S/C15H12ClNO3/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
TM
:
SADGXAYKDYFNTN-UHFFFAOYSA-N
Chemical properties calculations
LogP:
3.1
H-acceptors: 4
LogS:
-3.96
H-donors: 2
tPSA:
66.4 Å
2
Rotatable bonds: 5