Tìm theo
Hydromorphinol
Thuốc Gốc
Small Molecule
CAS: 2183-56-4
CTHH: C17H21NO4
PTK: 303.3529
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
303.3529
Monoisotopic mass
303.147058165
InChI
InChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3/t11-,12+,15-,16-,17+/m0/s1
InChI Key
InChIKey=AABLHGPVOULICI-BRJGLHKUSA-N
IUPAC Name
(1S,5R,13R,14S,17S)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14,17-triol
Traditional IUPAC Name
hydromorphinol
SMILES
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@@H]2O
Độ hòa tan
2.06e+01 g/l
logP
0.2
logS
-1.2
pKa (strongest acidic)
7.44
pKa (Strongest Basic)
11.56
PSA
73.16 Å2
Refractivity
80.46 m3·mol-1
Polarizability
31.43 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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