Chemical ID: 5649221

c1ccc(cc1)COc2ccc(cc2)C=C(C#N)c3ccccc3
Chemical ID:
5649221
Name [?]:
3-(4-benzyloxyphenyl)-2-phenyl-prop-2-enenitrile
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C=C(C#N)c3ccccc3
InChi [?]:
InChI=1/C22H17NO/c23-16-21(20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)24-17-19-7-3-1-4-8-19/h1-15H,17H2
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,11,13,10,14,15,17,7,12,4,19,16,9,18,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCOCCCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;t17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7356
Area:551.231
Solvation:-3.04519
Coulombic:-15.7738
Bond Count [?]
All:26
Single:15
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:311.377
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.5
LogP (Chemaxon):5.51

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