Molecule

ID:47543

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-4-11(2)13-7-5-6-8-15(13)20-12-9-14(17-10-12)16(18)19-3;/h5-8,11-12,14,17H,4,9-10H2,1-3H3;1H/t11?,12-,14-;/m0./s1
InChIKey
NVSROXMXTDLIMV-CBDVGLMHSA-N
Canonic Smiles
CCC(c1ccccc1O[C@@H]1CN[C@@H](C1)C(=O)OC)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccccc1C(C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8474005
LogD (pH = 7.4)
2.8683684
Log P
2.9247844
Molar Refractivity
77.203
Polarizability
30.903667
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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