Tìm theo
6-O-Cyclohexylmethyl Guanine
Thuốc Gốc
Small Molecule
CTHH: C12H17N5O
PTK: 247.2963
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
247.2963
Monoisotopic mass
247.143310191
InChI
InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChI Key
InChIKey=MWGXGTJJAOZBNW-UHFFFAOYSA-N
IUPAC Name
6-(cyclohexylmethoxy)-9H-purin-2-amine
Traditional IUPAC Name
6-(cyclohexylmethoxy)-9H-purin-2-amine
SMILES
NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1
Độ hòa tan
8.29e-01 g/l
logP
2.1
logS
-2.5
pKa (strongest acidic)
8.98
pKa (Strongest Basic)
3.77
PSA
89.71 Å2
Refractivity
68.75 m3·mol-1
Polarizability
26.7 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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