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Chemical ID: 6350648

Chemical ID:

6350648

Name [?]:

2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]-ethanone

SMILES [?]:

c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCl

InChi [?]:

InChI=1/C12H14Cl2N2O/c13-9-12(17)16-6-4-15(5-7-16)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2

InChi Info:

AuxInfo=1/0/N:1,6,2,9,13,10,12,4,16,5,3,14,17,7,8,11,15/E:(4,5)(6,7)/rA:17nCCCCCCClNCCNCCCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄Cl₂N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.15538
Area:	449.346
Solvation:	-3.07827
Coulombic:	-22.7011

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	273.158
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.52
LogP (Chemaxon):	2.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value