Molecule

ID:1395

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N
Molecular Mass
261.36086
Exact Mass
261.15174961
Charge
0
InChI
InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
InChIKey
ISFHAYSTHMVOJR-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2=C(C1)C(c1ccccc1)c1c2cccc1
Isomeric Smiles
N1(CC2=C(CC1)c1c(C2c2ccccc2)cccc1)C
Calculated Properties
JChem
Acid pKa
18.006231
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.41971144
LogD (pH = 7.4)
2.0139568
Log P
3.6197312
Molar Refractivity
85.0333
Polarizability
32.8276
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.04
LOG S
-3.97
Solubility (Water)
2.77e-02 g/l
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...