Molecule

ID:55288

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey
ZYSNIOLYTCTGSQ-UHFFFAOYSA-N
Canonic Smiles
O1CCC(CC1)Nc1ccccc1.Cl
Isomeric Smiles
N(C1CCOCC1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3175819
LogD (pH = 7.4)
1.4059578
Log P
1.40721
Molar Refractivity
54.7273
Polarizability
20.64585
Polar Surface Area
21.26
Rotatable Bonds
2
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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