Chemical ID: 4191236

COc1ccc(cc1)C=C(C#N)c2ccc(cc2)Cl
Chemical ID:
4191236
Name [?]:
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-prop-2-enenitrile
SMILES [?]:
COc1ccc(cc1)C=C(C#N)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H12ClNO/c1-19-16-8-2-12(3-9-16)10-14(11-18)13-4-6-15(17)7-5-13/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,14,18,15,17,4,8,9,11,6,13,10,16,3,19,12,2/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCOCCCCCCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;t11;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.03617
Area:472.925
Solvation:-2.78694
Coulombic:-13.6288
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:269.725
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):4.25

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