Chemical ID: 7006928

CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)O
Chemical ID:
7006928
Name [?]:
4-(2-acetoxybenzoyl)aminobenzoic acid
SMILES [?]:
CC(=O)Oc1ccccc1C(=O)Nc2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C16H13NO5/c1-10(18)22-14-5-3-2-4-13(14)15(19)17-12-8-6-11(7-9-12)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,16,18,15,19,2,17,14,10,5,11,20,13,3,12,21,22,4/E:(6,7)(8,9)(20,21)/rA:22nCCOOCCCCCCCONCCCCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO5
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.72078
Area:496.061
Solvation:-3.68073
Coulombic:-66.5312
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.278
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.39
LogP (Chemaxon):2.12

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Descriptor Annotations

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