Chemical ID: 5259758

c1ccc(cc1)C(=O)Cc2c(=O)[nH]n3c(=N)[nH]nc3n2
Chemical ID:
5259758
Name [?]:
9-imino-4-phenacyl-1,2,5,7,8-pentazabicyclo[4.3.0]nona-4,6-dien-3-one
SMILES [?]:
c1ccc(cc1)C(=O)Cc2c(=O)[nH]n3c(=N)[nH]nc3n2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H10N6O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.16514
Area:447.806
Solvation:-4.03001
Coulombic:-59.9146
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:270.247
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.88
LogP (Chemaxon):0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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