Chemical ID: 5632971

c1cc(ccc1C(=O)c2cc(ccc2C(=O)O)C(=O)O)N
Chemical ID:
5632971
Name [?]:
2-(4-aminobenzoyl)terephthalic acid
SMILES [?]:
c1cc(ccc1C(=O)c2cc(ccc2C(=O)O)C(=O)O)N
InChi [?]:
InChI=1/C15H11NO5/c16-10-4-1-8(2-5-10)13(17)12-7-9(14(18)19)3-6-11(12)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,13,10,6,11,3,14,9,7,18,15,21,8,19,20,16,17/E:(1,2)(4,5)(18,19)(20,21)/rA:21nCCCCCCCOCCCCCCCOOCOON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.59085
Area:463.758
Solvation:-4.00311
Coulombic:-79.4865
Bond Count [?]
All:22
Single:13
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.252
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.99
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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