Tìm theo
3,9-Dimethyladenine
Thuốc Gốc
Small Molecule
CTHH: C7H10N5
PTK: 164.1878
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H10N5
Phân tử khối
164.1878
Monoisotopic mass
164.093620345
InChI
InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1
InChI Key
InChIKey=YXTNRNJPEDJTNF-UHFFFAOYSA-O
IUPAC Name
6-amino-3,9-dimethyl-9H-purin-3-ium
Traditional IUPAC Name
3,9-dimethyladenine
SMILES
CN1C=NC2=C1[N+](C)=CN=C2N
Độ hòa tan
1.35e+00 g/l
logP
-4.8
logS
-2.2
pKa (strongest acidic)
18.49
pKa (Strongest Basic)
0.094
PSA
60.61 Å2
Refractivity
46.09 m3·mol-1
Polarizability
16.82 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
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