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Chemical ID: 5829770
Chemical ID:
5829770
Name [?]:
1-[(4-chlorophenyl)methyl]piperidine
SMILES [?]:
c1cc(ccc1CN2CCCCC2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChi Info:
AuxInfo=1/0/N:11,10,12,1,5,2,4,9,13,7,6,3,14,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62604 |
Area: | 387.017 |
Solvation: | -1.04939 |
Coulombic: | -7.2418 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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