Chemical ID: 6913433

Cc1ccccc1c2ccc(cc2)C#N
Chemical ID:
6913433
Name [?]:
4-(o-tolyl)benzonitrile
SMILES [?]:
Cc1ccccc1c2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H11N/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,10,12,9,13,14,2,11,8,7,15/E:(6,7)(8,9)/rA:15nCCCCCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s11;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.39295
Area:382.164
Solvation:-1.16116
Coulombic:-6.5374
Bond Count [?]
All:16
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.244
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.12
LogP (Chemaxon):4.01

Name Annotations

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Descriptor Annotations

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