Tìm theo
2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL
Thuốc Gốc
Small Molecule
CTHH: C17H11NO3
PTK: 277.2741
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
277.2741
Monoisotopic mass
277.073893223
InChI
InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H
InChI Key
InChIKey=JHOZVRGNIYFYHE-UHFFFAOYSA-N
IUPAC Name
2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
Traditional IUPAC Name
2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILES
OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1
Độ hòa tan
8.21e-02 g/l
logP
3.73
logS
-3.5
pKa (strongest acidic)
8.84
pKa (Strongest Basic)
0.32
PSA
66.49 Å2
Refractivity
88.24 m3·mol-1
Polarizability
29.31 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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