Chemical ID: 4770294

c1cc(c(cc1OCC(CNCc2cc(cc(c2)Cl)Cl)O)Cl)Cl
Chemical ID:
4770294
Name [?]:
1-(3,4-dichlorophenoxy)-3-[(3,5-dichlorophenyl)methylamino]propan-2-ol
SMILES [?]:
c1cc(c(cc1OCC(CNCc2cc(cc(c2)Cl)Cl)O)Cl)Cl
InChi [?]:
InChI=1/C16H15Cl4NO2/c17-11-3-10(4-12(18)5-11)7-21-8-13(22)9-23-14-1-2-15(19)16(20)6-14/h1-6,13,21-22H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,14,18,16,5,12,10,8,13,15,17,9,6,3,4,20,19,23,22,11,21,7/E:(3,4)(11,12)(17,18)/rA:23cCCCCCCOCCCNCCCCCCCClClOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s9;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15Cl4NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.5878
Area:621.203
Solvation:-4.94227
Coulombic:-34.4448
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.107
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.08
LogP (Chemaxon):4.89

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