Molecule

ID:47045

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-11-5-6-14(13(9-11)15(2,3)4)17-12-7-8-16-10-12;/h5-6,9,12,16H,7-8,10H2,1-4H3;1H
InChIKey
XCFWNXCUHKNUHB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(C)(C)C)OC1CNCC1.Cl
Isomeric Smiles
c1(c(OC2CCNC2)ccc(c1)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22690699
LogD (pH = 7.4)
0.7001044
Log P
3.4578507
Molar Refractivity
71.5193
Polarizability
28.24754
Polar Surface Area
21.26
Rotatable Bonds
3
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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