Chemical ID: 5720736

CCOc1ccc(cc1OCC)C(=Cc2ccccc2)C#N
Chemical ID:
5720736
Name [?]:
2-(3,4-diethoxyphenyl)-3-phenyl-prop-2-enenitrile
SMILES [?]:
CCOc1ccc(cc1OCC)C(=Cc2ccccc2)C#N
InChi [?]:
InChI=1/C19H19NO2/c1-3-21-18-11-10-16(13-19(18)22-4-2)17(14-20)12-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,18,17,19,16,20,6,5,14,8,21,15,7,13,4,9,22,3,10/E:(6,7)(8,9)/rA:22nCCOCCCCCCOCCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;s15;d16;s17;d18;d15s19;s13;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.3698
Area:517.178
Solvation:-4.55966
Coulombic:-20.2416
Bond Count [?]
All:23
Single:15
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:293.36
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):4.17

Name Annotations

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Descriptor Annotations

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