Molecule

ID:74419

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m1/s1
InChIKey
XIJAGFLYYNXCAB-QGZVFWFLSA-N
Canonic Smiles
CN1CCC[C@@H]1C(c1ccccc1)(c1ccccc1)O
Isomeric Smiles
N1(CCC[C@@H]1C(c1ccccc1)(c1ccccc1)O)C
Calculated Properties
JChem
Acid pKa
12.874183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13964182
LogD (pH = 7.4)
1.099881
Log P
3.2593944
Molar Refractivity
82.4776
Polarizability
32.432354
Polar Surface Area
23.47
Rotatable Bonds
3
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
References
Bioactivity
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