Molecule

ID:130764

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₂
Molecular Mass
289.37272
Exact Mass
289.17902699
Charge
0
InChI
InChI=1S/C16H23N3O2/c1-16-8-9-18(4)14(16)19(5)13-7-6-11(10-12(13)16)21-15(20)17(2)3/h6-7,10,14H,8-9H2,1-5H3/t14-,16+/m1/s1
InChIKey
IUHMWLMDASQDJQ-ZBFHGGJFSA-N
Canonic Smiles
CN1CC[C@@]2([C@H]1N(C)c1c2cc(cc1)OC(=O)N(C)C)C
Isomeric Smiles
C[C@@]12CCN([C@@H]1N(c1c2cc(cc1)OC(=O)N(C)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3380755
LogD (pH = 7.4)
2.394291
Log P
2.4562092
Molar Refractivity
83.2935
Polarizability
31.747429
Polar Surface Area
36.02
Rotatable Bonds
2
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