Molecule

ID:122705

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O
Molecular Mass
260.37456
Exact Mass
260.1888634
Charge
0
InChI
InChI=1S/C16H24N2O/c1-15-9-17-10-16(2,14(15)19)12-18(11-15)8-13-6-4-3-5-7-13/h3-7,14,17,19H,8-12H2,1-2H3
InChIKey
NRTKUYGHEKNAOU-UHFFFAOYSA-N
Canonic Smiles
OC1C2(C)CNCC1(C)CN(C2)Cc1ccccc1
Isomeric Smiles
C12(C(C(CN(C1)Cc1ccccc1)(CNC2)C)O)C
Calculated Properties
JChem
Acid pKa
14.170944
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4638236
LogD (pH = 7.4)
-1.0708003
Log P
1.4587858
Molar Refractivity
77.5638
Polarizability
30.976652
Polar Surface Area
35.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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