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Chemical ID: 5838534
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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Experimental Annotations
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Descriptor Annotations
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