Molecule

ID:46950

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-11-9-12(15(2,3)4)5-6-14(11)17-13-7-8-16-10-13;/h5-6,9,13,16H,7-8,10H2,1-4H3;1H
InChIKey
YEHAYTYZNQTDIB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1OC1CNCC1)C(C)(C)C.Cl
Isomeric Smiles
c1(cc(c(OC2CCNC2)cc1)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22682457
LogD (pH = 7.4)
0.6979017
Log P
3.4578507
Molar Refractivity
71.5193
Polarizability
28.247488
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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