Molecule

ID:119313

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₄
Molecular Mass
317.37952
Exact Mass
317.16270822
Charge
0
InChI
InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3/t14-,18+/m1/s1
InChIKey
RNZIQNGNLJSLHV-KDOFPFPSSA-N
Canonic Smiles
CO[C@@]1(CC=C(C)C)[C@H](O)CCc2c1nc1occc1c2OC
Isomeric Smiles
c12nc3c(c(c1CC[C@H]([C@]2(CC=C(C)C)OC)O)OC)cco3
Calculated Properties
JChem
Acid pKa
13.722524
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.873678
LogD (pH = 7.4)
2.8736796
Log P
2.8736799
Molar Refractivity
87.6592
Polarizability
34.343414
Polar Surface Area
64.72
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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