Molecule

ID:29312

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-12-21-18-9-7-17(8-10-18)20-11-13-22-19-14-15(2)5-6-16(19)3/h5-10,14,20H,4,11-13H2,1-3H3
InChIKey
VXXPIEJNYWCCBT-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)NCCOc1cc(C)ccc1C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6685777
LogD (pH = 7.4)
4.8359604
Log P
4.8385754
Molar Refractivity
92.6222
Polarizability
35.171413
Polar Surface Area
30.49
Rotatable Bonds
8
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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