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Chemical ID: 5816960
Chemical ID:
5816960
Name [?]:
9-methyl-1,8-diazabicyclo[5.4.0]undeca-7,9-dien-11-one
SMILES [?]:
Cc1cc(=O)n2c(n1)CCCCC2
InChi [?]:
InChI=1/C10H14N2O/c1-8-7-10(13)12-6-4-2-3-5-9(12)11-8/h7H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,3,2,7,4,8,6,5/rA:13nCCCCONCNCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;s11;s6s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.60212 |
Area: | 331.652 |
Solvation: | -1.68918 |
Coulombic: | -20.4504 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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