Molecule

ID:21348

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClNO₃
Molecular Mass
305.75614
Exact Mass
305.08187106
Charge
0
InChI
InChI=1S/C16H16ClNO3/c1-20-16(19)14-8-10(9-18-14)21-15-7-6-13(17)11-4-2-3-5-12(11)15/h2-7,10,14,18H,8-9H2,1H3/t10?,14-/m0/s1
InChIKey
JVVAJAQAKBOGNU-SBNLOKMTSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccc(c2c1cccc2)Cl
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c3c(c(cc2)Cl)cccc3)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7762936
LogD (pH = 7.4)
2.7755666
Log P
2.8287282
Molar Refractivity
79.6662
Polarizability
32.984295
Polar Surface Area
47.56
Rotatable Bonds
4
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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