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Chemical ID: 3965400
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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