Molecule

ID:3826

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O
Molecular Mass
260.37456
Exact Mass
260.1888634
Charge
0
InChI
InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKey
HBTZVNKXMFGOOJ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CCCCC1)NCCCc1ccccc1
Isomeric Smiles
c1ccccc1CCCNC(=O)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
15.471505
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3404915
LogD (pH = 7.4)
3.3404918
Log P
3.3404918
Molar Refractivity
77.9188
Polarizability
30.365408
Polar Surface Area
41.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.37
LOG S
-4.03
Solubility (Water)
2.42e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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