Molecule

ID:63195

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-11-9-13(14)7-8-15(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKey
ZXRSAZKEWVLRNS-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(C(C1)C)Cc1ccccc1
Isomeric Smiles
N1(C(CC(CC1)N)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2778735
LogD (pH = 7.4)
-2.207552
Log P
1.5423954
Molar Refractivity
64.4013
Polarizability
25.60032
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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