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Chemical ID: 4586671
Chemical ID:
4586671
Name [?]:
2-methyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
SMILES [?]:
CC1CC(=O)C2CCCCC2[NH2+]1
InChi [?]:
InChI=1/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,3,2,6,11,4,12,5/rA:12cCCCCOCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s2s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18NO+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -28.0135 |
Area: | 314.651 |
Solvation: | -35.8797 |
Coulombic: | 32.032 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.05 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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