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Chemical ID: 4767296
Chemical ID:
4767296
Name [?]:
2-ethyl-6-methyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
CCN1c2ccccc2N(CCC1=O)C
InChi [?]:
InChI=1/C12H16N2O/c1-3-14-11-7-5-4-6-10(11)13(2)9-8-12(14)15/h4-7H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,7,6,8,5,12,11,9,4,13,10,3,14/rA:15cCCNCCCCCCNCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s3s12;d13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.482 |
Area: | 361.17 |
Solvation: | -2.54725 |
Coulombic: | -21.7953 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.268 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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