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Chemical ID: 4165264
Chemical ID:
4165264
Name [?]:
4-amino-1H-quinolin-2-one
SMILES [?]:
c1ccc2c(c1)c(cc(=O)[nH]2)N
InChi [?]:
InChI=1/C9H8N2O/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H3,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,7,4,9,12,11,10/rA:12nCCCCCCCCCONN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02728 |
Area: | 309.212 |
Solvation: | -1.70302 |
Coulombic: | -37.7209 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 160.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.75 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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