Tìm theo
(2S)-2-(1H-indol-3-yl)pentanoic acid
Thuốc Gốc
Small Molecule
CTHH: C13H15NO2
PTK: 217.2637
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H15NO2
Phân tử khối
217.2637
Monoisotopic mass
217.110278729
InChI
InChI=1S/C13H15NO2/c1-2-5-10(13(15)16)11-8-14-12-7-4-3-6-9(11)12/h3-4,6-8,10,14H,2,5H2,1H3,(H,15,16)/t10-/m0/s1
InChI Key
InChIKey=QRCBLBWFQJDFJQ-JTQLQIEISA-N
IUPAC Name
(2S)-2-(1H-indol-3-yl)pentanoic acid
Traditional IUPAC Name
(2S)-2-(1H-indol-3-yl)pentanoic acid
SMILES
[H][C@@](CCC)(C(O)=O)C1=CNC2=CC=CC=C12
Độ hòa tan
3.81e-01 g/l
logP
3.14
logS
-2.8
pKa (strongest acidic)
4.77
PSA
53.09 Å2
Refractivity
62.23 m3·mol-1
Polarizability
23.51 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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