Chemical ID: 4682696

c1cc(ccc1C=Nn2cnnc2)C(F)(F)F
Chemical ID:
4682696
Name [?]:
N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethyl)phenyl]-methanimine
SMILES [?]:
c1cc(ccc1C=Nn2cnnc2)C(F)(F)F
InChi [?]:
InChI=1/C10H7F3N4/c11-10(12,13)9-3-1-8(2-4-9)5-16-17-6-14-15-7-17/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,10,13,6,3,14,15,16,17,11,12,8,9/E:(1,2)(3,4)(6,7)(11,12,13)(14,15)/rA:17nCCCCCCCNNCNNCCFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;s9d12;s3;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F3N4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.35461
Area:368.471
Solvation:-2.85717
Coulombic:-27.3078
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:240.185
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.9
LogP (Chemaxon):1.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue