Molecule

ID:135696

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀NP
Molecular Mass
161.224861
Exact Mass
161.13333628
Charge
0
InChI
InChI=1S/C8H20NP/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
InChIKey
QUVUVMRUSAKOPB-UHFFFAOYSA-N
Canonic Smiles
NCCP(C(C)C)C(C)C
Isomeric Smiles
CC(C)P(CCN)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.7565892
LogD (pH = 7.4)
-1.8070513
Log P
1.0983
Molar Refractivity
53.342
Polarizability
19.725266
Polar Surface Area
26.02
Rotatable Bonds
4
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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