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Chemical ID: 6493995
Chemical ID:
6493995
Name [?]:
1-(4-chlorophenyl)-2-methyl-piperazine
SMILES [?]:
CC1CNCCN1c2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H15ClN2/c1-9-8-13-6-7-14(9)11-4-2-10(12)3-5-11/h2-5,9,13H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,5,6,3,2,11,8,14,4,7/E:(2,3)(4,5)/rA:14cCCCNCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15ClN2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.5304 |
Area: | 364.954 |
Solvation: | -1.59346 |
Coulombic: | -16.1295 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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