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Chemical ID: 5193695
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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