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Chemical ID: 7114221
Chemical ID:
7114221
Name [?]:
1,2,5,6,7,8-hexahydrocinnolin-3-one
SMILES [?]:
c1c2c([nH+][nH]c1=O)CCCC2
InChi [?]:
InChI=1/C8H10N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h5H,1-4H2,(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:10,9,11,8,1,2,3,6,4,5,7/rA:11nCCCN+NCOCCCC/rB:d1;s2;d3;s4;s1s5;d6;s3;s8;s9;s2s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N2O+ |
All Atoms: | 22 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -27.8889 |
Area: | 294.836 |
Solvation: | -35.2598 |
Coulombic: | -0.69189 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.93 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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