Chemical ID: 6832403

Cc1c(c2ccccc2[nH]1)C(c3ccc[nH+]c3)Nc4cccc(c4)F
Chemical ID:
6832403
Name [?]:
3-fluoro-N-[(2-methyl-1H-indol-3-yl)-(1H-pyridin-5-yl)methyl]-aniline
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C(c3ccc[nH+]c3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C21H18FN3/c1-14-20(18-9-2-3-10-19(18)24-14)21(15-6-5-11-23-13-15)25-17-8-4-7-16(22)12-17/h2-13,21,24-25H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,7,21,14,13,22,20,5,8,15,24,17,2,12,23,19,4,9,3,11,25,16,10,18/rA:25cCCCCCCCCCNCCCCCN+CNCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19FN3+
All Atoms:44
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-23.5949
Area:518.539
Solvation:-36.5583
Coulombic:-17.627
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.394
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.17
LogP (Chemaxon):4.49

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