Tìm theo
Indirubin-5-Sulphonate
Thuốc Gốc
Small Molecule
CTHH: C16H10N2O5S
PTK: 342.326
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
342.326
Monoisotopic mass
342.03104213
InChI
InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13-
InChI Key
InChIKey=IHBOEHLUIBMBMY-YPKPFQOOSA-N
IUPAC Name
2-oxo-3-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonic acid
Traditional IUPAC Name
indirubin-5-sulphonate
SMILES
OS(=O)(=O)C1=CC=C2NC(=O)\C(=C3/NC4=CC=CC=C4C3=O)C2=C1
Độ hòa tan
6.39e-02 g/l
logP
-0.41
logS
-3.7
pKa (strongest acidic)
-2.1
pKa (Strongest Basic)
-2.8
PSA
112.57 Å2
Refractivity
89.62 m3·mol-1
Polarizability
32.97 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
Rule of Five
true
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