Molecule

ID:47043

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈ClNO
Molecular Mass
297.86332
Exact Mass
297.1859422
Charge
0
InChI
InChI=1S/C17H27NO.ClH/c1-13-7-8-16(15(10-13)17(2,3)4)19-12-14-6-5-9-18-11-14;/h7-8,10,14,18H,5-6,9,11-12H2,1-4H3;1H
InChIKey
DIPXMFFSTVOUPI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(C)(C)C)OCC1CCCNC1.Cl
Isomeric Smiles
c1(C(C)(C)C)c(OCC2CNCCC2)ccc(c1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7980807
LogD (pH = 7.4)
1.455668
Log P
4.019968
Molar Refractivity
81.1039
Polarizability
31.9402
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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