Molecule

ID:762

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₇P₂
Molecular Mass
283.112262
Exact Mass
283.00107496
Charge
0
InChI
InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
InChIKey
IIDJRNMFWXDHID-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
Isomeric Smiles
P(=O)(O)(O)C(P(=O)(O)O)(O)Cc1cccnc1
Calculated Properties
Provided by Enamine
CLogP
-2.62
H Donor
5
Polar Surface Area
148.18
Rotatable Bonds
4
JChem
Polar Surface Area
148.18
H Donor
5
H Acceptors
8
Rotatable Bonds
4
Lipinski's Rule of Five
true
Log P
-3.32
LogD (pH = 5.5)
-6.36
LogD (pH = 7.4)
-6.72
Acid pKa
0.68
Molar Refractivity
57.12
Polarizability
22.22
LOG S
3.06
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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