Molecule

ID:80158

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀N₃O₃P
Molecular Mass
331.390761
Exact Mass
331.20247847
Charge
0
InChI
InChI=1S/C15H30N3O3P/c1-7-16(8-2)13(19)22(14(20)17(9-3)10-4)15(21)18(11-5)12-6/h7-12H2,1-6H3
InChIKey
JNDPTHRENWPPDI-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)P(C(=O)N(CC)CC)C(=O)N(CC)CC)CC
Isomeric Smiles
P(C(=O)N(CC)CC)(C(=O)N(CC)CC)C(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0674999
LogD (pH = 7.4)
2.0675
Log P
2.0675
Molar Refractivity
95.0097
Polarizability
34.74248
Polar Surface Area
60.93
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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