Molecule

ID:20033

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H16ClNO/c1-8(2)5-6-14-11-4-3-9(13)7-10(11)12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKey
HCMVXTAACGDJEL-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1Cl)N)C
Isomeric Smiles
c1(cc(N)ccc1OCCC(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1669605
LogD (pH = 7.4)
3.2011573
Log P
3.2016113
Molar Refractivity
60.4486
Polarizability
23.234201
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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