Molecule

ID:45704

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₄
Molecular Mass
299.75002
Exact Mass
299.09243574
Charge
0
InChI
InChI=1S/C14H17NO4.ClH/c1-18-14(17)12-8-11(9-15-12)19-13(16)7-10-5-3-2-4-6-10;/h2-6,11-12,15H,7-9H2,1H3;1H/t11-,12-;/m0./s1
InChIKey
LGXSBWVJVZLYRS-FXMYHANSSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)Cc1ccccc1.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)OC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3032455
LogD (pH = 7.4)
1.1423967
Log P
1.1765202
Molar Refractivity
68.0247
Polarizability
27.40527
Polar Surface Area
64.63
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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