Chemical ID: 3965400

c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)O
Chemical ID:
3965400
Name [?]:
2-(2-amino-3-benzoyl-phenyl)acetic acid
SMILES [?]:
c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)O
InChi [?]:
InChI=1/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,12,10,16,4,13,9,17,14,7,15,18,19,8/E:(2,3)(5,6)(17,18)/rA:19nCCCCCCCOCCCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s13;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.74503
Area:433.744
Solvation:-3.09858
Coulombic:-52.8655
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.269
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):2.77

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