Chemical ID: 7261631

c1cc(cc(c1)NC(=O)Nc2cccnc2)C(F)(F)F
Chemical ID:
7261631
Name [?]:
3-(3-pyridyl)-1-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(cc(c1)NC(=O)Nc2cccnc2)C(F)(F)F
InChi [?]:
InChI=1/C13H10F3N3O/c14-13(15,16)9-3-1-4-10(7-9)18-12(20)19-11-5-2-6-17-8-11/h1-8H,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,4,16,3,5,11,8,17,18,19,20,15,7,10,9/E:(14,15,16)/rA:20nCCCCCCNCONCCCCNCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10F3N3O
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.78604
Area:434.571
Solvation:-3.07823
Coulombic:-57.3437
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.233
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):3.08

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