Molecule

ID:47474

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClNO₃
Molecular Mass
327.84624
Exact Mass
327.16012138
Charge
0
InChI
InChI=1S/C17H25NO3.ClH/c1-11-8-12(17(2,3)4)6-7-15(11)21-13-9-14(18-10-13)16(19)20-5;/h6-8,13-14,18H,9-10H2,1-5H3;1H/t13-,14-;/m0./s1
InChIKey
CDKJFDLXDBLWNI-IODNYQNNSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1C)C(C)(C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2049031
LogD (pH = 7.4)
3.2357259
Log P
3.2936842
Molar Refractivity
82.1183
Polarizability
32.666748
Polar Surface Area
47.56
Rotatable Bonds
5
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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