Molecule

ID:101900

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3
InChIKey
LNQVZZGGOZBOQS-UHFFFAOYSA-N
Canonic Smiles
NC(C(c1ccccc1)(c1ccccc1)O)C(C)C
Isomeric Smiles
C(C(N)C(C)C)(c1ccccc1)(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
12.879378
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.30183846
LogD (pH = 7.4)
1.2963921
Log P
3.2822719
Molar Refractivity
78.6115
Polarizability
31.327772
Polar Surface Area
46.25
Rotatable Bonds
4
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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