Chemical ID: 7119052

Cc1ccccc1N2CCN(CC2)C(=O)CCl
Chemical ID:
7119052
Name [?]:
2-chloro-1-[4-(o-tolyl)piperazin-1-yl]-ethanone
SMILES [?]:
Cc1ccccc1N2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C13H17ClN2O/c1-11-4-2-3-5-12(11)15-6-8-16(9-7-15)13(17)10-14/h2-5H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,9,13,10,12,16,2,7,14,17,8,11,15/E:(6,7)(8,9)/rA:17nCCCCCCCNCCNCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClN2O
All Atoms:34
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.9172
Area:434.294
Solvation:-2.94014
Coulombic:-22.5653
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.74
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.13
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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