Chemical ID: 4344534

c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCCCCN
Chemical ID:
4344534
Name [?]:
N-[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine
SMILES [?]:
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCCCCN
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H14F3N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.53371
Area:454.738
Solvation:-7.83473
Coulombic:-53.7327
Bond Count [?]
All:19
Single:15
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.243
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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