Molecule

ID:129320

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClNO₂
Molecular Mass
293.7885
Exact Mass
293.11825657
Charge
0
InChI
InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey
ZEOHVQFWFVMPGM-YJNKXOJESA-N
Canonic Smiles
COC(=O)[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)Cl
Isomeric Smiles
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)c1ccc(cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.16166592
LogD (pH = 7.4)
1.3451927
Log P
3.1152809
Molar Refractivity
79.3149
Polarizability
31.440208
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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