Chemical ID: 5088768

Cc1ccc(cc1)COc2ccc(cc2OC)C=C(C#N)C#N
Chemical ID:
5088768
Name [?]:
2-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]propanedinitrile
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2OC)C=C(C#N)C#N
InChi [?]:
InChI=1/C19H16N2O2/c1-14-3-5-15(6-4-14)13-23-18-8-7-16(10-19(18)22-2)9-17(11-20)12-21/h3-10H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,12,11,18,14,20,22,8,2,5,13,19,10,15,21,23,16,9/E:(3,4)(5,6)(11,12)(20,21)/rA:23nCCCCCCCCOCCCCCCOCCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;d18;s19;t20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.09527
Area:547.087
Solvation:-5.58189
Coulombic:-22.1225
Bond Count [?]
All:24
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.343
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.08

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Descriptor Annotations

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