Chemical ID: 4160266

CC(=CC(=O)Oc1ccc(cc1OC)C=C(C#N)c2ccc(cc2)Cl)C
Chemical ID:
4160266
Name [?]:
[4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 3-methylbut-2-enoate
SMILES [?]:
CC(=CC(=O)Oc1ccc(cc1OC)C=C(C#N)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C21H18ClNO3/c1-14(2)10-21(24)26-19-9-4-15(12-20(19)25-3)11-17(13-23)16-5-7-18(22)8-6-16/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,14,9,20,24,21,23,8,3,15,11,17,2,10,19,16,22,7,12,4,25,18,5,13,6/E:(1,2)(5,6)(7,8)/rA:26nCCCCOOCCCCCCOCCCCNCCCCCCClC/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;w15;s16;t17;s16;s19;d20;s21;d22;d19s23;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4481
Area:609.231
Solvation:-3.78271
Coulombic:-33.108
Bond Count [?]
All:27
Single:17
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:367.825
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):5.01

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