Chemical ID: 4907583

c1cc(nc2c1C(=O)CCC2)O
Chemical ID:
4907583
Name [?]:
2-hydroxy-7,8-dihydro-6H-quinolin-5-one
SMILES [?]:
c1cc(nc2c1C(=O)CCC2)O
InChi [?]:
InChI=1/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h4-5H,1-3H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:10,11,9,1,2,6,5,7,3,4,8,12/rA:12nCCCNCCCOCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s5s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.99673
Area:311.117
Solvation:-2.78119
Coulombic:-28.4214
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.173
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.05
LogP (Chemaxon):0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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