Molecule

ID:10528

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
InChIKey
PDJZOFLRRJQYBF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N(C)C
Isomeric Smiles
c1c(ccc(c1)N(C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8420036
LogD (pH = 7.4)
-0.95984447
Log P
1.2070581
Molar Refractivity
48.96
Polarizability
18.54865
Polar Surface Area
29.26
Rotatable Bonds
2
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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