Chemical ID: 6534547

Cc1cc(=O)n2c(n1)CCC2
Chemical ID:
6534547
Name [?]:
4-methyl-1,5-diazabicyclo[4.3.0]nona-3,5-dien-2-one
SMILES [?]:
Cc1cc(=O)n2c(n1)CCC2
InChi [?]:
InChI=1/C8H10N2O/c1-6-5-8(11)10-4-2-3-7(10)9-6/h5H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,3,2,7,4,8,6,5/rA:11nCCCCONCNCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.66848
Area:300.744
Solvation:-1.85011
Coulombic:-19.5943
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.178
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.06
LogP (Chemaxon):0.08

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Descriptor Annotations

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