Chemical ID: 7517910

COc1cc(cc(c1O)Cl)C=C(C#N)c2ccc(cc2)C#N
Chemical ID:
7517910
Name [?]:
4-[2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-1-cyano-vinyl]benzonitrile
SMILES [?]:
COc1cc(cc(c1O)Cl)C=C(C#N)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C17H11ClN2O2/c1-22-16-8-12(7-15(18)17(16)21)6-14(10-20)13-4-2-11(9-19)3-5-13/h2-8,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,19,16,20,11,6,4,21,13,18,5,15,12,7,3,8,10,22,14,9,2/E:(2,3)(4,5)/rA:22nCOCCCCCCOClCCCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;t13;s12;s15;d16;s17;d18;d15s19;s18;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClN2O2
All Atoms:33
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.96658
Area:504.61
Solvation:-4.64868
Coulombic:-31.5609
Bond Count [?]
All:23
Single:14
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.73
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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