Molecule

ID:111524

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₃OP
Molecular Mass
215.232481
Exact Mass
215.11874884
Charge
0
InChI
InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3
InChIKey
AVUYXHYHTTVPRX-UHFFFAOYSA-N
Canonic Smiles
CC1CN1P(=O)(N1CC1C)N1CC1C
Isomeric Smiles
CC1CN1P(=O)(N1CC1C)N1CC1C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.66753525
LogD (pH = 7.4)
-0.6675252
Log P
-0.66752505
Molar Refractivity
55.9877
Polarizability
22.986923
Polar Surface Area
26.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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