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Chemical ID: 3963682
Chemical ID:
3963682
Name [?]:
1-[(4-chlorophenyl)methyl]piperazine
SMILES [?]:
c1cc(ccc1CN2CCNCC2)Cl
InChi [?]:
InChI=1/C11H15ClN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,12,9,13,7,6,3,14,11,8/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15ClN2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20126 |
Area: | 384.392 |
Solvation: | -1.40853 |
Coulombic: | -15.1894 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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