Molecule

ID:124141

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂
Molecular Mass
228.3327
Exact Mass
228.16264865
Charge
0
InChI
InChI=1S/C15H20N2/c1-14(2)9-12-13(15(3,4)17-14)10-7-5-6-8-11(10)16-12/h5-8,16-17H,9H2,1-4H3
InChIKey
KTRMOHGEUZMGAM-UHFFFAOYSA-N
Canonic Smiles
CC1(C)Cc2[nH]c3c(c2C(N1)(C)C)cccc3
Isomeric Smiles
c12c([nH]c3c2cccc3)CC(NC1(C)C)(C)C
Calculated Properties
JChem
Acid pKa
15.794768
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.4511031
LogD (pH = 7.4)
0.39778966
Log P
2.7558482
Molar Refractivity
71.804
Polarizability
29.25014
Polar Surface Area
27.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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