Chemical ID: 5193695

c1cc(c(cc1NC(=O)C=O)O)C(=O)O
Chemical ID:
5193695
Name [?]:
2-hydroxy-4-oxaldehydoylamino-benzoic acid
SMILES [?]:
c1cc(c(cc1NC(=O)C=O)O)C(=O)O
InChi [?]:
InChI=1/C9H7NO5/c11-4-8(13)10-5-1-2-6(9(14)15)7(12)3-5/h1-4,12H,(H,10,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,6,3,4,8,13,7,11,12,9,14,15/E:(14,15)/rA:15nCCCCCCNCOCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s4;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.75119
Area:374.252
Solvation:-5.60511
Coulombic:-69.7872
Bond Count [?]
All:15
Single:9
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.156
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.16
LogP (Chemaxon):1.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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