1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE
Thuốc Gốc
Small Molecule
CTHH: C10H11F3N4S
PTK: 276.281
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
276.281
Monoisotopic mass
276.065651677
InChI
InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17)
InChI Key
InChIKey=DWJNPCRXBNWCJC-UHFFFAOYSA-N
IUPAC Name
1-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)methanimidoyl]guanidine
Traditional IUPAC Name
1-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)methanimidoyl]guanidine
SMILES
NC(=N)NC(=N)SCC1=CC=CC(=C1)C(F)(F)F
Độ hòa tan
2.26e-02 g/l
logP
2.69
logS
-4.1
pKa (Strongest Basic)
10.03
PSA
85.75 Å2
Refractivity
86.33 m3·mol-1
Polarizability
24.64 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
2
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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