Molecule

ID:47560

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO₅
Molecular Mass
315.74942
Exact Mass
315.08735036
Charge
0
InChI
InChI=1S/C14H17NO5.ClH/c1-18-13(16)9-3-5-10(6-4-9)20-11-7-12(15-8-11)14(17)19-2;/h3-6,11-12,15H,7-8H2,1-2H3;1H/t11-,12-;/m0./s1
InChIKey
GPAHEFWIUZDBNY-FXMYHANSSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(=O)OC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.19634533
LogD (pH = 7.4)
1.1867927
Log P
1.2386836
Molar Refractivity
70.4365
Polarizability
28.086323
Polar Surface Area
73.86
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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