Chemical ID: 5838534

CCC(=O)Nc1ccc(cc1C(=O)O)O
Chemical ID:
5838534
Name [?]:
5-hydroxy-2-propanoylamino-benzoic acid
SMILES [?]:
CCC(=O)Nc1ccc(cc1C(=O)O)O
InChi [?]:
InChI=1/C10H11NO4/c1-2-9(13)11-8-4-3-6(12)5-7(8)10(14)15/h3-5,12H,2H2,1H3,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,10,9,11,6,3,12,5,15,4,13,14/E:(14,15)/rA:15nCCCONCCCCCCCOOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.29772
Area:377.457
Solvation:-3.1387
Coulombic:-62.4609
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.199
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.96
LogP (Chemaxon):1.88

Name Annotations

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Descriptor Annotations

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