Molecule

ID:22867

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-4-16(23-14-7-5-6-12(2)10-14)18(21)20-15-11-13(19)8-9-17(15)22-3/h5-11,16H,4,19H2,1-3H3,(H,20,21)
InChIKey
OMMIYAOASBGMNV-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1cc(N)ccc1OC)Oc1cccc(c1)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)C(Oc1cc(ccc1)C)CC
Calculated Properties
JChem
Acid pKa
11.496232
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2900102
LogD (pH = 7.4)
3.3451855
Log P
3.3459706
Molar Refractivity
92.1058
Polarizability
34.58329
Polar Surface Area
73.58
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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