Molecule

ID:28762

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-15(2)23-19-9-4-6-16(12-19)14-20-17-7-5-8-18(13-17)22-11-10-21-3/h4-9,12-13,15,20H,10-11,14H2,1-3H3
InChIKey
XRGLKDCNTLSLJU-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCc1cccc(c1)OC(C)C
Isomeric Smiles
N(c1cc(OCCOC)ccc1)Cc1cc(OC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5775883
LogD (pH = 7.4)
3.5815117
Log P
3.581562
Molar Refractivity
94.0017
Polarizability
35.998146
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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