Molecule

ID:47488

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁Cl₂NO₃
Molecular Mass
334.23814
Exact Mass
333.0898489
Charge
0
InChI
InChI=1S/C15H20ClNO3.ClH/c1-9(2)12-6-10(16)4-5-14(12)20-11-7-13(17-8-11)15(18)19-3;/h4-6,9,11,13,17H,7-8H2,1-3H3;1H/t11-,13-;/m0./s1
InChIKey
AWNVANDKGIEINJ-JZKFLRDJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1C(C)C)Cl.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1C(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0123923
LogD (pH = 7.4)
3.0285783
Log P
3.0842605
Molar Refractivity
77.4068
Polarizability
30.940966
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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