Tìm theo
1-Benzyl-5-Methoxy-2-Methyl-1h-Indol-3-Yl)-Acetic Acid
Thuốc Gốc
Small Molecule
CTHH: C19H19NO3
PTK: 309.3591
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
309.3591
Monoisotopic mass
309.136493479
InChI
InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChI Key
InChIKey=ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
IUPAC Name
2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
Traditional IUPAC Name
(1-benzyl-5-methoxy-2-methylindol-3-yl)acetic acid
SMILES
COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O
Độ hòa tan
1.01e-02 g/l
logP
3.7
logS
-4.5
pKa (strongest acidic)
4.45
pKa (Strongest Basic)
-4.8
PSA
51.46 Å2
Refractivity
89.57 m3·mol-1
Polarizability
33.54 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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