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Chemical ID: 5614467
Chemical ID:
5614467
Name [?]:
8-hydroxy-1H-quinolin-2-one
SMILES [?]:
c1cc2ccc(=O)[nH]c2c(c1)O
InChi [?]:
InChI=1/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,4,5,3,10,6,9,8,12,7/rA:12nCCCCCCONCCCO/rB:s1;d2;s3;d4;s5;d6;s6;s3s8;d9;d1s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25632 |
Area: | 307.375 |
Solvation: | -2.42807 |
Coulombic: | -37.5814 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 161.157 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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