Molecule

ID:85128

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClO₃
Molecular Mass
296.78914
Exact Mass
296.11792221
Charge
0
InChI
InChI=1S/C16H21ClO3/c17-14-7-9-15(10-8-14)19-11-2-1-3-12-20-16(18)13-5-4-6-13/h7-10,13H,1-6,11-12H2
InChIKey
ZCIDMSSFEWRQJK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCCCCOC(=O)C1CCC1
Isomeric Smiles
O=C(C1CCC1)OCCCCCOc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4168987
LogD (pH = 7.4)
4.4168987
Log P
4.4168987
Molar Refractivity
78.881
Polarizability
31.324091
Polar Surface Area
35.53
Rotatable Bonds
9
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
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References
Bioactivity
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