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Chemical ID: 6627153
Chemical ID:
6627153
Name [?]:
4-(3-chlorophenyl)piperidine
SMILES [?]:
c1cc(cc(c1)Cl)C2CCNCC2
InChi [?]:
InChI=1/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,13,10,12,4,8,3,5,7,11/E:(4,5)(6,7)/rA:13nCCCCCCClCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16372 |
Area: | 364.351 |
Solvation: | -0.945048 |
Coulombic: | -10.9689 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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