Chemical ID: 6473737

c1cc(cnc1)C(C(C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl
Chemical ID:
6473737
Name [?]:
4,4,4-trichloro-1-(2,4-dichlorophenyl)-3-hydroxy-2-(3-pyridyl)butan-1-one
SMILES [?]:
c1cc(cnc1)C(C(C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl5NO2/c16-9-3-4-10(11(17)6-9)13(22)12(14(23)15(18,19)20)8-2-1-5-21-7-8/h1-7,12,14,23H
InChi Info:
AuxInfo=1/0/N:1,2,18,17,6,20,4,3,19,16,21,7,14,8,9,23,22,10,11,12,5,15,13/E:(18,19,20)/rA:23cCCCCNCCCCClClClOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s9;s9;s8;s7;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl5NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.16711
Area:536.294
Solvation:-4.24024
Coulombic:-31.7971
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.509
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.34
LogP (Chemaxon):4.09

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