N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Thuốc Gốc
Small Molecule
CTHH: C9H13BeF3N2O9P2
PTK: 421.1624
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
421.1624
Monoisotopic mass
421.017019798
InChI
InChI=1S/C9H14N2O9P2.Be.3FH/c1-10(8-4-2-3-5-9(8)11(12)13)6-7-19-22(17,18)20-21(14,15)16;;;;/h2-5H,6-7H2,1H3,(H,17,18)(H2,14,15,16);;3*1H/q;+3;;;/p-4
InChI Key
InChIKey=LIFJVXDWLUOXQS-UHFFFAOYSA-J
IUPAC Name
{[hydroxy({2-[methyl(2-nitrophenyl)amino]ethoxy})phosphoryl]oxy}[(trifluoroberylliuide)oxy]phosphinic acid
Traditional IUPAC Name
[hydroxy(2-[methyl(2-nitrophenyl)amino]ethoxy)phosphoryl]oxy(trifluoroberylliuide)oxyphosphinic acid
SMILES
CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)C1=CC=CC=C1[N+]([O-])=O
Độ hòa tan
1.32e-02 g/l
logP
2.73
logS
-4.5
pKa (strongest acidic)
2.08
pKa (Strongest Basic)
-0.2
PSA
151.35 Å2
Refractivity
79.14 m3·mol-1
Polarizability
30.9 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
-3
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Substance
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