Chemical ID: 4085481

COc1ccc(cc1OC)C=C(C#N)c2ccccc2
Chemical ID:
4085481
Name [?]:
3-(3,4-dimethoxyphenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
COc1ccc(cc1OC)C=C(C#N)c2ccccc2
InChi [?]:
InChI=1/C17H15NO2/c1-19-16-9-8-13(11-17(16)20-2)10-15(12-18)14-6-4-3-5-7-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,5,4,11,7,13,6,15,12,3,8,14,2,9/E:(4,5)(6,7)/rA:20nCOCCCCCCOCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;t13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.06064
Area:474.462
Solvation:-4.80092
Coulombic:-19.89
Bond Count [?]
All:21
Single:13
Double:7
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:265.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.44
LogP (Chemaxon):3.48

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