{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid
Thuốc Gốc
Small Molecule
CTHH: C12H10F4O6P2
PTK: 388.1453
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
388.1453
Monoisotopic mass
387.988873896
InChI
InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)
InChI Key
InChIKey=VHKBLEYUHBIBNR-UHFFFAOYSA-N
IUPAC Name
({7-[difluoro(phosphono)methyl]naphthalen-2-yl}difluoromethyl)phosphonic acid
Traditional IUPAC Name
{7-[difluoro(phosphono)methyl]naphthalen-2-yl}difluoromethylphosphonic acid
SMILES
OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O
Độ hòa tan
8.28e-01 g/l
logP
1.63
logS
-2.7
pKa (strongest acidic)
0.19
PSA
115.06 Å2
Refractivity
75.95 m3·mol-1
Polarizability
28.24 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-3
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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