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Chemical ID: 5231352

Chemical ID:

5231352

Name [?]:

1-(4-chlorophenyl)amino-3-(2,4-dichlorophenoxy)-propan-2-ol

SMILES [?]:

c1cc(ccc1NCC(COc2ccc(cc2Cl)Cl)O)Cl

InChi [?]:

InChI=1/C15H14Cl3NO2/c16-10-1-4-12(5-2-10)19-8-13(20)9-21-15-6-3-11(17)7-14(15)18/h1-7,13,19-20H,8-9H2

InChi Info:

AuxInfo=1/0/N:2,4,14,1,5,13,16,8,10,3,15,6,9,17,12,21,19,18,7,20,11/E:(1,2)(4,5)/rA:21cCCCCCCNCCCOCCCCCCClClOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄Cl₃NO₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.50299
Area:	562.982
Solvation:	-4.57156
Coulombic:	-37.5167

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	346.635
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	4.59
LogP (Chemaxon):	4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value