Molecule

ID:17016

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKey
NPGAXSHDDOESHB-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CN(C)C
Isomeric Smiles
c1(C(CN(C)C)N)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9047062
LogD (pH = 7.4)
-0.6245415
Log P
1.1774259
Molar Refractivity
52.2207
Polarizability
20.803177
Polar Surface Area
29.26
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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