Molecule

ID:82872

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)9-3-4-10-5-7-11-8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
MVRSMEHVLAYWMA-UHFFFAOYSA-N
Canonic Smiles
CN(CCCc1ccncc1)C
Isomeric Smiles
n1ccc(cc1)CCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.2908137
LogD (pH = 7.4)
-0.7524538
Log P
1.4302
Molar Refractivity
51.7998
Polarizability
20.11207
Polar Surface Area
16.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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