2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Thuốc Gốc
Small Molecule
CTHH: C21H15NO3
PTK: 329.3487
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H15NO3
Phân tử khối
329.3487
Monoisotopic mass
329.105193351
InChI
InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3
InChI Key
InChIKey=ROMNEYAQUBNRLR-UHFFFAOYSA-N
IUPAC Name
2-(2-hydroxy-5-phenylphenyl)-4-methyl-2,3-dihydro-1H-isoindole-1,3-dione
Traditional IUPAC Name
2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione
SMILES
CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC(=CC=C1O)C1=CC=CC=C1
Độ hòa tan
5.99e-03 g/l
logP
4.43
logS
-4.7
pKa (strongest acidic)
8.15
pKa (Strongest Basic)
-1.9
PSA
57.61 Å2
Refractivity
96.15 m3·mol-1
Polarizability
35.29 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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