1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
Thuốc Gốc
Small Molecule
CTHH: C19H16INO4
PTK: 449.2391
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
449.2391
Monoisotopic mass
449.012401425
InChI
InChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChI Key
InChIKey=CXBFZYKAVCAPSV-UHFFFAOYSA-N
IUPAC Name
2-{1-[(4-iodophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
Traditional IUPAC Name
{1-[(4-iodophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid
SMILES
COC1=CC=C2N(C(=O)C3=CC=C(I)C=C3)C(C)=C(CC(O)=O)C2=C1
Độ hòa tan
5.12e-03 g/l
logP
3.85
logS
-4.9
pKa (strongest acidic)
3.84
pKa (Strongest Basic)
-2.3
PSA
68.53 Å2
Refractivity
103.37 m3·mol-1
Polarizability
40.05 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
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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