Molecule

ID:28754

General Information
Structure
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-15-6-4-9-19(12-15)23-16(2)14-20-17-7-5-8-18(13-17)22-11-10-21-3/h4-9,12-13,16,20H,10-11,14H2,1-3H3
InChIKey
FWULYIRIPBQKEO-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCC(Oc1cccc(c1)C)C
Isomeric Smiles
N(c1cc(OCCOC)ccc1)CC(Oc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8081985
LogD (pH = 7.4)
3.8153315
Log P
3.8154233
Molar Refractivity
93.7707
Polarizability
35.92504
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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