Molecule

ID:46202

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c1-10(2)12-3-4-14(13(15)7-12)17-9-11-5-6-16-8-11;/h3-4,7,10-11,16H,5-6,8-9H2,1-2H3;1H
InChIKey
JNADJFCWGQOSPF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OCC1CNCC1)C(C)C.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CNCC1)C(C)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12640227
LogD (pH = 7.4)
0.2850123
Log P
3.3659754
Molar Refractivity
71.7914
Polarizability
28.336826
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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