Molecule

ID:19092

General Information
Structure
Loading...
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-9-4-6-10(7-5-9)11(8-12)13(2)3/h4-7,11H,8,12H2,1-3H3
InChIKey
BBSADQGXHDVVCU-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)N(C)C
Isomeric Smiles
C(c1ccc(cc1)C)(N(C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4938607
LogD (pH = 7.4)
-0.21250232
Log P
1.6908473
Molar Refractivity
57.2619
Polarizability
22.568348
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
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...