Chemical ID: 5121011

c1ccc(cc1)C(C#N)c2cccnc2
Chemical ID:
5121011
Name [?]:
2-phenyl-2-(3-pyridyl)acetonitrile
SMILES [?]:
c1ccc(cc1)C(C#N)c2cccnc2
InChi [?]:
InChI=1/C13H10N2/c14-9-13(11-5-2-1-3-6-11)12-7-4-8-15-10-12/h1-8,10,13H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,8,15,4,10,7,9,14/E:(2,3)(5,6)/rA:15cCCCCCCCCNCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;t8;s7;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.26512
Area:378.664
Solvation:-2.20148
Coulombic:-9.17631
Bond Count [?]
All:16
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:194.232
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.98
LogP (Chemaxon):2.48

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Descriptor Annotations

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