Molecule

ID:16577

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO
Molecular Mass
281.39202
Exact Mass
281.17796436
Charge
0
InChI
InChI=1S/C19H23NO/c1-3-8-16(9-4-1)19(17-10-5-2-6-11-17)15-20-14-18-12-7-13-21-18/h1-6,8-11,18-20H,7,12-15H2
InChIKey
PFYGZRURHRYWBG-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCC(c1ccccc1)c1ccccc1
Isomeric Smiles
C(c1ccccc1)(c1ccccc1)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.531797
LogD (pH = 7.4)
1.3919767
Log P
3.7376218
Molar Refractivity
86.8823
Polarizability
34.284004
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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