Molecule

ID:47564

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClNO₃
Molecular Mass
327.84624
Exact Mass
327.16012138
Charge
0
InChI
InChI=1S/C17H25NO3.ClH/c1-5-17(2,3)12-6-8-13(9-7-12)21-14-10-15(18-11-14)16(19)20-4;/h6-9,14-15,18H,5,10-11H2,1-4H3;1H/t14-,15-;/m0./s1
InChIKey
LDWAZKMUDIGOGN-YYLIZZNMSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(CC)(C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1)C(CC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.146279
LogD (pH = 7.4)
3.1682591
Log P
3.2248316
Molar Refractivity
81.6781
Polarizability
32.742977
Polar Surface Area
47.56
Rotatable Bonds
6
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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