Molecule

ID:29928

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇N₃O₄
Molecular Mass
313.39258
Exact Mass
313.20015636
Charge
0
InChI
InChI=1S/C15H27N3O4/c1-10(2)12(17-21)16-13(19)11-6-8-18(9-7-11)14(20)22-15(3,4)5/h10-11,21H,6-9H2,1-5H3,(H,16,17,19)
InChIKey
HTJRCEYKHUSTMA-UHFFFAOYSA-N
Canonic Smiles
O/N=C(\C(C)C)/NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)C(=O)N/C(=N/O)/C(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
10.694202
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.59809
LogD (pH = 7.4)
1.5978733
Log P
1.5980928
Molar Refractivity
82.4816
Polarizability
32.21873
Polar Surface Area
91.23
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