Chemical ID: 6301983

c1cc(oc1)c2cc(n3c(n2)cc(n3)C(=O)NCC#N)C(F)(F)F
Chemical ID:
6301983
Name [?]:
N-(cyanomethyl)-4-(2-furyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxamide
SMILES [?]:
c1cc(oc1)c2cc(n3c(n2)cc(n3)C(=O)NCC#N)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H8F3N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.82401
Area:516.585
Solvation:-4.09061
Coulombic:-61.2918
Bond Count [?]
All:26
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.241
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.62
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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