Molecule

ID:53017

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2
InChIKey
RIMRLBGNCLMSNH-UHFFFAOYSA-N
Canonic Smiles
N1CCNC(C1)c1ccccc1
Isomeric Smiles
c1(ccccc1)C1NCCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0731115
LogD (pH = 7.4)
-0.6082303
Log P
1.0554334
Molar Refractivity
49.7316
Polarizability
20.058712
Polar Surface Area
24.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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