Chemical ID: 6525221

Cc1cc(c2ccccc2n1)NC(=O)Nc3ccccc3F
Chemical ID:
6525221
Name [?]:
3-(2-fluorophenyl)-1-(2-methyl-4-quinolyl)-urea
SMILES [?]:
Cc1cc(c2ccccc2n1)NC(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C17H14FN3O/c1-11-10-16(12-6-2-4-8-14(12)19-11)21-17(22)20-15-9-5-3-7-13(15)18/h2-10H,1H3,(H2,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,7,19,8,18,6,20,9,17,3,2,5,21,10,16,4,13,22,11,15,12,14/rA:22nCCCCCCCCCCNNCONCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.23385
Area:474.823
Solvation:-2.63672
Coulombic:-44.7543
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:295.311
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):3.26

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