Tìm theo
SU9516
Thuốc Gốc
Small Molecule
CTHH: C13H11N3O2
PTK: 241.2453
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
241.2453
Monoisotopic mass
241.085126611
InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
InChI Key
InChIKey=QNUKRWAIZMBVCU-WCIBSUBMSA-N
IUPAC Name
(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one
Traditional IUPAC Name
(3Z)-3-(3H-imidazol-4-ylmethylidene)-5-methoxy-1H-indol-2-one
SMILES
COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1
Độ hòa tan
3.23e-01 g/l
logP
0.91
logS
-2.9
pKa (strongest acidic)
11.59
pKa (Strongest Basic)
6.64
PSA
67.01 Å2
Refractivity
69.03 m3·mol-1
Polarizability
24.93 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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