Chemical ID: 4516431

c1cc(ccc1C=Cc2ccc(cc2)C#N)C#N
Chemical ID:
4516431
Name [?]:
4-[2-(4-cyanophenyl)vinyl]benzonitrile
SMILES [?]:
c1cc(ccc1C=Cc2ccc(cc2)C#N)C#N
InChi [?]:
InChI=1/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H
InChi Info:
AuxInfo=1/0/N:7,8,1,5,10,14,2,4,11,13,17,15,6,9,3,12,18,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;t15;s3;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.11009
Area:431.267
Solvation:-1.67158
Coulombic:-10.2374
Bond Count [?]
All:19
Single:10
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:230.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.1
LogP (Chemaxon):3.89

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