5-Methoxy-1,2-Dimethyl-3-(4-Nitrophenoxymethyl)Indole-4,7-Dione
Thuốc Gốc
Small Molecule
CTHH: C18H16N2O6
PTK: 356.3294
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
356.3294
Monoisotopic mass
356.100836254
InChI
InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3
InChI Key
InChIKey=IBLWSLZYYZHSRG-UHFFFAOYSA-N
IUPAC Name
5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)-4,7-dihydro-1H-indole-4,7-dione
Traditional IUPAC Name
5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione
SMILES
COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O
Độ hòa tan
2.73e-02 g/l
logP
2.02
logS
-4.1
pKa (strongest acidic)
12.61
pKa (Strongest Basic)
-4.6
PSA
103.35 Å2
Refractivity
95.98 m3·mol-1
Polarizability
35.73 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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