Molecule

ID:46730

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-11(2)15-5-4-14(8-12(15)3)17-10-13-6-7-16-9-13;/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3;1H
InChIKey
UMMWYUJFXXSKDX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1C)OCC1CNCC1)C.Cl
Isomeric Smiles
c1(c(cc(OCC2CNCC2)cc1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.035778992
LogD (pH = 7.4)
0.1943889
Log P
3.275352
Molar Refractivity
72.0278
Polarizability
28.247654
Polar Surface Area
21.26
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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