Molecule

ID:51551

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClN₂O₄
Molecular Mass
340.80194
Exact Mass
340.11898484
Charge
0
InChI
InChI=1S/C16H21ClN2O4/c1-16(2,3)23-15(21)19-8-11(12(9-19)14(20)22-4)10-7-18-6-5-13(10)17/h5-7,11-12H,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKey
JBCBYFOBIDCTEV-VXGBXAGGSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@@H]1c1cnccc1Cl)C(=O)OC(C)(C)C
Isomeric Smiles
c1cncc(c1Cl)[C@H]1CN(C[C@H]1C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8977028
LogD (pH = 7.4)
1.9057039
Log P
1.9058071
Molar Refractivity
85.299
Polarizability
33.58243
Polar Surface Area
68.73
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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