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Chemical ID: 7118942

Chemical ID:

7118942

Name [?]:

2-chloro-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-ethanone

SMILES [?]:

Cc1ccc(c(c1)C)N2CCN(CC2)C(=O)CCl

InChi [?]:

InChI=1/C14H19ClN2O/c1-11-3-4-13(12(2)9-11)16-5-7-17(8-6-16)14(18)10-15/h3-4,9H,5-8,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,3,4,10,14,11,13,7,17,2,6,5,15,18,9,12,16/E:(5,6)(7,8)/rA:18nCCCCCCCCNCCNCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉ClN₂O
All Atoms:	37
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.49382
Area:	456.828
Solvation:	-2.92689
Coulombic:	-22.3227

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.766
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.56
LogP (Chemaxon):	2.94

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value