Molecule

ID:83002

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀N₃OP
Molecular Mass
407.488261
Exact Mass
407.21264923
Charge
0
InChI
InChI=1S/C24H30N3OP/c1-25(2)19-7-13-22(14-8-19)29(28,23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6/h7-18H,1-6H3
InChIKey
WJWYOXIYLBXRKS-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)P(=O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C
Isomeric Smiles
P(=O)(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.5388427
LogD (pH = 7.4)
5.5482793
Log P
5.5484
Molar Refractivity
126.3516
Polarizability
47.401886
Polar Surface Area
26.79
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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