Chemical ID: 4271219

c1cc(ccc1C=C(C#N)c2nc(cs2)c3ccc(c(c3)Cl)Cl)O
Chemical ID:
4271219
Name [?]:
2-[4-(3,4-dichlorophenyl)thiazol-2-yl]-3-(4-hydroxyphenyl)-prop-2-enenitrile
SMILES [?]:
c1cc(ccc1C=C(C#N)c2nc(cs2)c3ccc(c(c3)Cl)Cl)O
InChi [?]:
InChI=1/C18H10Cl2N2OS/c19-15-6-3-12(8-16(15)20)17-10-24-18(22-17)13(9-21)7-11-1-4-14(23)5-2-11/h1-8,10,23H
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,18,7,21,9,14,6,16,8,3,19,20,13,11,23,22,10,12,24,15/E:(1,2)(4,5)/rA:24nCCCCCCCCCNCNCCSCCCCCCClClO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;t9;s8;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10Cl2N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.538
Area:578.25
Solvation:-2.91831
Coulombic:-27.8741
Bond Count [?]
All:26
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:373.256
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.14
LogP (Chemaxon):5.68

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