Molecule

ID:47863

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-7-6-8(11(2)3)4-5-9(7)10/h4-6H,10H2,1-3H3
InChIKey
POKISONDDBRXBK-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(c(c1)C)N)C
Isomeric Smiles
c1(cc(c(cc1)N)C)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39088914
LogD (pH = 7.4)
1.6538556
Log P
1.7657851
Molar Refractivity
50.2282
Polarizability
18.070229
Polar Surface Area
29.26
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
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References
Bioactivity
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