Chemical ID: 5167009

CN1CCN(CC1)c2ccc(cc2)Cl
Chemical ID:
5167009
Name [?]:
1-(4-chlorophenyl)-4-methyl-piperazine
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H15ClN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,3,7,4,6,11,8,14,2,5/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCNCCNCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClN2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.90756
Area:378.271
Solvation:-1.54922
Coulombic:-12.3846
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:210.703
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.5
LogP (Chemaxon):2.63

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Experimental Annotations

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Descriptor Annotations

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