Molecule

ID:21300

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-9-4-5-13(10(2)6-9)18-11-7-12(15-8-11)14(16)17-3/h4-6,11-12,15H,7-8H2,1-3H3/t11?,12-/m0/s1
InChIKey
PORGOWVHPSLNGC-KIYNQFGBSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccc(cc1C)C
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(cc(cc2)C)C)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.170116
LogD (pH = 7.4)
2.203658
Log P
2.2620494
Molar Refractivity
68.4936
Polarizability
27.146887
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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