Molecule

ID:28972

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-4-5-12-23-18-9-7-6-8-15(18)14-20-17-13-16(21-2)10-11-19(17)22-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKey
JMRZDAOPGTUORY-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNc1cc(OC)ccc1OC
Isomeric Smiles
c1(NCc2c(OCCCC)cccc2)cc(ccc1OC)OC
Calculated Properties
JChem
Acid pKa
17.903034
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.0151324
LogD (pH = 7.4)
4.021303
Log P
4.0213823
Molar Refractivity
94.1276
Polarizability
35.982365
Polar Surface Area
39.72
Rotatable Bonds
9
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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