Molecule

ID:74261

General Information
Structure
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-7,10,14H,8H2,1-4H3
InChIKey
NRWNXIXJZMSDAU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)NC(CC2C)(C)C
Isomeric Smiles
N1C(CC(c2c1cc(cc2)C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3427725
LogD (pH = 7.4)
3.4268875
Log P
3.4280734
Molar Refractivity
62.8092
Polarizability
23.517307
Polar Surface Area
12.03
Rotatable Bonds
0
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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