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Chemical ID: 5235302
Chemical ID:
5235302
Name [?]:
7-methyl-1,5-diazabicyclo[4.4.0]deca-5,7,9-trien-4-one
SMILES [?]:
CC1=CC=CN2C1=NC(=O)CC2
InChi [?]:
InChI=1/C9H10N2O/c1-7-3-2-5-11-6-4-8(12)10-9(7)11/h2-3,5H,4,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,11,5,12,2,9,7,8,6,10/rA:12nCCCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s9;s6s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.67212 |
Area: | 311.195 |
Solvation: | -2.10776 |
Coulombic: | -20.3172 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.189 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.56 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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