Molecule

ID:31536

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-12-6-7-15(14(16)11-12)18-10-9-17-8-4-3-5-13(17)2/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKey
HRPDBBKHZCQZKW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)OCCN1CCCCC1C
Isomeric Smiles
N1(C(C)CCCC1)CCOc1c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.47223908
LogD (pH = 7.4)
1.0912542
Log P
2.7856557
Molar Refractivity
76.8427
Polarizability
29.45466
Polar Surface Area
38.49
Rotatable Bonds
4
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
暂无数据
点击上传数据
References
Bioactivity
Navigation