Tìm theo
Huperaine A
Thuốc Gốc
Small Molecule
CTHH: C15H18N2O
PTK: 242.3162
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
242.3162
Monoisotopic mass
242.141913208
InChI
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
InChI Key
InChIKey=ZRJBHWIHUMBLCN-YQEJDHNASA-N
IUPAC Name
(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
Traditional IUPAC Name
(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
SMILES
[H][C@@]12CC3=C(C=CC(=O)N3)[C@@](N)(CC(C)=C1)\C2=C\C
Độ hòa tan
1.66e-01 g/l
logP
0.62
logS
-3.2
pKa (strongest acidic)
11.11
pKa (Strongest Basic)
9.09
PSA
55.12 Å2
Refractivity
75.79 m3·mol-1
Polarizability
26.87 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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