Molecule

ID:1259

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKey
LSSUMOWDTKZHHT-UHFFFAOYSA-N
Canonic Smiles
CCN(CCc1c[nH]c2c1cccc2)CC
Isomeric Smiles
N(CCc1c2c([nH]c1)cccc2)(CC)CC
Calculated Properties
JChem
Acid pKa
17.164703
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.45126498
LogD (pH = 7.4)
0.3918655
Log P
3.0156817
Molar Refractivity
69.9394
Polarizability
28.15842
Polar Surface Area
19.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.64
LOG S
-2.79
Solubility (Water)
3.53e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation