Molecule

ID:109594

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-2-10-8-6-9-5-3-4-7-11-9/h3-5,7,10H,2,6,8H2,1H3
InChIKey
IFZVQNMIQKLTKI-UHFFFAOYSA-N
Canonic Smiles
CCNCCc1ccccn1
Isomeric Smiles
CCNCCc1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2308946
LogD (pH = 7.4)
-1.3992987
Log P
0.9892148
Molar Refractivity
46.0749
Polarizability
18.266941
Polar Surface Area
24.92
Rotatable Bonds
4
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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