Chemical ID: 4616218

Cc1ccn2c(c1)nc(c2NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])c4ccccc4
Chemical ID:
4616218
Name [?]:
N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15N5O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:-0.623427
Area:642.807
Solvation:-16.6936
Coulombic:-47.8662
Bond Count [?]
All:34
Single:21
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.375
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.3
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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