Molecule

ID:61973

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKey
NFSAPTWLWWYADB-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N(C)C
Isomeric Smiles
C(N(C)C)(c1ccccc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9491632
LogD (pH = 7.4)
-0.6789882
Log P
1.1774259
Molar Refractivity
52.2207
Polarizability
20.803118
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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