Molecule

ID:44699

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂
Molecular Mass
230.34858
Exact Mass
230.17829871
Charge
0
InChI
InChI=1S/C15H22N2/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,16H2
InChIKey
DEDUBZVXFIONOV-UHFFFAOYSA-N
Canonic Smiles
NC1CCCC2C1CN(C2)Cc1ccccc1
Isomeric Smiles
N1(CC2C(C1)CCCC2N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.273309
LogD (pH = 7.4)
-2.5204813
Log P
2.0237536
Molar Refractivity
71.7129
Polarizability
28.551031
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
References
Bioactivity
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