Tìm theo
IC261
Thuốc Gốc
Small Molecule
CTHH: C18H17NO4
PTK: 311.3319
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
311.3319
Monoisotopic mass
311.115758037
InChI
InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
InChI Key
InChIKey=JBJYTZXCZDNOJW-JLHYYAGUSA-N
IUPAC Name
(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
Traditional IUPAC Name
(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILES
COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1
Độ hòa tan
1.04e-02 g/l
logP
2.79
logS
-4.5
pKa (strongest acidic)
11.31
pKa (Strongest Basic)
-2
PSA
56.79 Å2
Refractivity
89.12 m3·mol-1
Polarizability
32.55 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
... loading
... loading