Chemical ID: 4103042

Cc1nc([nH]n1)C(=Cc2ccc(o2)[N+](=O)[O-])C#N
Chemical ID:
4103042
Name [?]:
2-(5-methyl-2H-1,2,4-triazol-3-yl)-3-(5-nitro-2-furyl)-prop-2-enenitrile
SMILES [?]:
Cc1nc([nH]n1)C(=Cc2ccc(o2)[N+](=O)[O-])C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H7N5O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:0.996349
Area:409.331
Solvation:-9.23693
Coulombic:-37.6565
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:245.194
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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