Tìm theo
EPIBATIDINE
Thuốc Gốc
Small Molecule
CTHH: C11H13ClN2
PTK: 208.687
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
208.687
Monoisotopic mass
208.076726133
InChI
InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
InChI Key
InChIKey=NLPRAJRHRHZCQQ-IVZWLZJFSA-N
IUPAC Name
(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
Traditional IUPAC Name
(1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
SMILES
[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1
Độ hòa tan
4.67e-01 g/l
logP
1.84
logS
-2.6
pKa (Strongest Basic)
10.54
PSA
24.92 Å2
Refractivity
57.39 m3·mol-1
Polarizability
22.07 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
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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