Chemical ID: 4286037

c1cc(cc(c1)[N+](=O)[O-])Cc2cnc(s2)NC(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4286037
Name [?]:
4-nitro-N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])Cc2cnc(s2)NC(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12N4O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:0.607489
Area:606.171
Solvation:-14.5468
Coulombic:-49.2144
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.367
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.48
LogP (Chemaxon):3.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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