Chemical ID: 6913443

COc1cccc(c1)c2ccc(cc2)C#N
Chemical ID:
6913443
Name [?]:
4-(3-methoxyphenyl)benzonitrile
SMILES [?]:
COc1cccc(c1)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H11NO/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,11,13,10,14,8,15,12,9,7,3,16,2/E:(5,6)(7,8)/rA:16nCOCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s12;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.56949
Area:406.054
Solvation:-2.58186
Coulombic:-12.8421
Bond Count [?]
All:17
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.243
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):3.29

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Descriptor Annotations

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