Molecule

ID:36250

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₃
Molecular Mass
316.39476
Exact Mass
316.17869264
Charge
0
InChI
InChI=1S/C18H24N2O3/c1-12-4-6-13(7-5-12)19-8-10-20(11-9-19)16(21)14-15(17(22)23)18(14,2)3/h4-7,14-15H,8-11H2,1-3H3,(H,22,23)
InChIKey
HCMIPXKMTIFCNX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(c2ccc(cc2)C)CC1)(C)C
Calculated Properties
JChem
Acid pKa
3.5329998
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.033187
LogD (pH = 7.4)
-0.6825097
Log P
1.7464199
Molar Refractivity
88.5119
Polarizability
33.76288
Polar Surface Area
60.85
Rotatable Bonds
3
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