Chemical ID: 7147827

Cc1c(c2ccccc2[nH]1)C(c3cc[nH+]cc3)Nc4ccc(cc4)F
Chemical ID:
7147827
Name [?]:
4-fluoro-N-[(2-methyl-1H-indol-3-yl)-(1H-pyridin-4-yl)methyl]-aniline
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C(c3cc[nH+]cc3)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C21H18FN3/c1-14-20(18-4-2-3-5-19(18)24-14)21(15-10-12-23-13-11-15)25-17-8-6-16(22)7-9-17/h2-13,21,24-25H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,21,23,20,24,13,17,14,16,2,12,22,19,4,9,3,11,25,15,10,18/E:(6,7)(8,9)(10,11)(12,13)/rA:25cCCCCCCCCCNCCCCN+CCNCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19FN3+
All Atoms:44
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-23.4962
Area:518.813
Solvation:-36.4665
Coulombic:-17.5943
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

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