Tìm theo
(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid
Thuốc Gốc
Small Molecule
CTHH: C9H9N2O2Se
PTK: 256.14
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H9N2O2Se
Phân tử khối
256.14
Monoisotopic mass
256.98292437
InChI
InChI=1S/C9H9N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1
InChI Key
InChIKey=APGIJMQOIHJFMC-LURJTMIESA-N
IUPAC Name
(2S)-2-amino-3-{selenopheno[3,2-b]pyrrol-6-yl}propanoic acid
Traditional IUPAC Name
(2S)-2-amino-3-{selenopheno[3,2-b]pyrrol-6-yl}propanoic acid
SMILES
N[[email protected]@H](Cc1cnc2cc[se]c12)C(O)=O
Độ hòa tan
2.12e+01 g/l
logP
-2.4
logS
-1.1
pKa (strongest acidic)
1.39
pKa (Strongest Basic)
9.28
PSA
76.21 Å2
Refractivity
58.94 m3·mol-1
Polarizability
19.9 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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