(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}PHENOXY)PROPANOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C15H11ClF3NO4
PTK: 361.7
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
361.7
Monoisotopic mass
361.032870167
InChI
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChI Key
InChIKey=GOCUAJYOYBLQRH-MRVPVSSYSA-N
IUPAC Name
(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Traditional IUPAC Name
(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
SMILES
[H][C@](C)(OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1)C(O)=O
Độ hòa tan
1.04e-02 g/l
logP
4.22
logS
-4.5
pKa (strongest acidic)
2.78
pKa (Strongest Basic)
-0.8
PSA
68.65 Å2
Refractivity
78.28 m3·mol-1
Polarizability
30.63 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
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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