Chemical ID: 6714431

COc1ccc(cc1OC)C(=O)Nc2ccccc2C(=O)[O-]
Chemical ID:
6714431
Name [?]:
2-(3,4-dimethoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C16H15NO5/c1-21-13-8-7-10(9-14(13)22-2)15(18)17-12-6-4-3-5-11(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,5,4,7,6,19,14,3,8,11,20,13,12,21,22,2,9/E:(19,20)/rA:22nCOCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14NO5-
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-31.2035
Area:487.264
Solvation:-43.3851
Coulombic:-38.6957
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.286
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.33
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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