Molecule
ID:125004
General Information
Molecular Formula
C₉H₁₆N₂
Molecular Mass
152.23674
Exact Mass
152.13134852
Charge
0
InChI
InChI=1S/C9H16N2/c1-8(2)10-7-9-5-4-6-11(9)3/h4-6,8,10H,7H2,1-3H3
InChIKey
JKVSQMWIMFRPCJ-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1cccn1C)C
Isomeric Smiles
n1(c(ccc1)CNC(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6157612
LogD (pH = 7.4)
-0.3950207
Log P
1.528539
Molar Refractivity
48.0064
Polarizability
18.708456
Polar Surface Area
16.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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