Molecule

ID:47540

General Information
Structure
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-16(2,3)12-7-5-6-8-14(12)20-11-9-13(17-10-11)15(18)19-4;/h5-8,11,13,17H,9-10H2,1-4H3;1H/t11-,13-;/m0./s1
InChIKey
RFJBEJFVPDARBV-JZKFLRDJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccccc1C(C)(C)C.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccccc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7043823
LogD (pH = 7.4)
2.7240477
Log P
2.780263
Molar Refractivity
77.0771
Polarizability
30.903034
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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