Molecule

ID:129003

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)15(18)14(11)13/h10,12,16H,4-8H2,1-3H3/t10-,12+/m0/s1
InChIKey
PVZMYDPRVUCJKV-CMPLNLGQSA-N
Canonic Smiles
CCc1c(C)[nH]c2c1C(=O)[C@H]1[C@H](C2)CCN(C1)C
Isomeric Smiles
O=C1c2c([nH]c(c2CC)C)C[C@H]2[C@H]1CN(CC2)C
Calculated Properties
JChem
Acid pKa
15.383943
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.61305696
LogD (pH = 7.4)
1.1604207
Log P
2.0671017
Molar Refractivity
74.8019
Polarizability
28.261541
Polar Surface Area
36.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation