Molecule

ID:74360

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂NO₃P
Molecular Mass
201.159541
Exact Mass
201.05547988
Charge
0
InChI
InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m0/s1
InChIKey
FQCNOURLMNHAQN-QMMMGPOBSA-N
Canonic Smiles
N[C@@H](P(=O)(O)O)Cc1ccccc1
Isomeric Smiles
P(=O)([C@@H](Cc1ccccc1)N)(O)O
Calculated Properties
JChem
Acid pKa
-0.249695
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.99019945
LogD (pH = 7.4)
-1.5661333
Log P
-0.9746712
Molar Refractivity
49.8082
Polarizability
19.742945
Polar Surface Area
83.55
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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