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Chemical ID: 4907583
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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