Molecule

ID:19309

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8,10H2,1H3
InChIKey
GCGMQDJOIHALPF-UHFFFAOYSA-N
Canonic Smiles
NCCN(c1ccccc1)C
Isomeric Smiles
N(c1ccccc1)(CCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7143692
LogD (pH = 7.4)
-0.8664841
Log P
1.2843058
Molar Refractivity
48.4364
Polarizability
18.553522
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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