Molecule

ID:35371

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅ClN₂O₄
Molecular Mass
368.8551
Exact Mass
368.15028497
Charge
0
InChI
InChI=1S/C18H25ClN2O4/c1-18(2,3)25-17(23)21-11-13(9-15(21)16(22)24-4)20-10-12-7-5-6-8-14(12)19/h5-8,13,15,20H,9-11H2,1-4H3/t13-,15-/m0/s1
InChIKey
PPZUUAMKHWZZRU-ZFWWWQNUSA-N
Canonic Smiles
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)NCc1ccccc1Cl
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C[C@@H](C1)NCc1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.75125504
LogD (pH = 7.4)
2.4170685
Log P
2.8384645
Molar Refractivity
94.9959
Polarizability
37.79855
Polar Surface Area
67.87
Rotatable Bonds
7
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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