Tìm theo
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
Thuốc Gốc
Small Molecule
CTHH: C11H13N5O2
PTK: 247.2532
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H13N5O2
Phân tử khối
247.2532
Monoisotopic mass
247.106924685
InChI
InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
InChI Key
InChIKey=LRQXUZUFSOQMGU-UHFFFAOYSA-N
IUPAC Name
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
Traditional IUPAC Name
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
SMILES
NC1=NC(OCCOC2=CC=CC=C2)=NC(N)=N1
Độ hòa tan
3.86e+00 g/l
logP
1.72
logS
-1.8
pKa (strongest acidic)
15.21
pKa (Strongest Basic)
5.3
PSA
109.17 Å2
Refractivity
68.78 m3·mol-1
Polarizability
25.3 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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