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Chemical ID: 4165422
Chemical ID:
4165422
Name [?]:
4-hydroxy-3-methyl-1H-quinolin-2-one
SMILES [?]:
Cc1c(c2ccccc2[nH]c1=O)O
InChi [?]:
InChI=1/C10H9NO2/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13/h2-5H,1H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,2,4,9,3,11,10,13,12/rA:13nCCCCCCCCCNCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08691 |
Area: | 325.454 |
Solvation: | -2.04946 |
Coulombic: | -37.5001 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.31 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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