Chemical ID: 4260468

C1CN2C=CC=CC2=NC1=O
Chemical ID:
4260468
Name [?]:
1,7-diazabicyclo[4.4.0]deca-2,4,6-trien-8-one
SMILES [?]:
C1CN2C=CC=CC2=NC1=O
InChi [?]:
InChI=1/C8H8N2O/c11-8-4-6-10-5-2-1-3-7(10)9-8/h1-3,5H,4,6H2
InChi Info:
AuxInfo=1/0/N:6,5,7,1,4,2,8,10,9,3,11/rA:11nCCNCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;s3s7;d8;s1s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.15856
Area:291.965
Solvation:-2.14055
Coulombic:-20.2429
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:148.162
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.42
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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