Degraded Cephaloridine
Thuốc Gốc
Small Molecule
CTHH: C14H16N2O4S2
PTK: 340.418
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
340.418
Monoisotopic mass
340.05514839
InChI
InChI=1S/C14H16N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13,16H,5,7H2,1H3,(H,15,18)(H,19,20)/t10-,13-/m1/s1
InChI Key
InChIKey=SFVACKBZMIZHCK-ZWNOBZJWSA-N
IUPAC Name
(2R)-5-methyl-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Traditional IUPAC Name
(2R)-5-methyl-2-[(1R)-2-oxo-1-[2-(thiophen-2-yl)acetamido]ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
SMILES
[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(C)CS1
Độ hòa tan
4.11e-02 g/l
logP
0.86
logS
-3.9
pKa (strongest acidic)
3.89
pKa (Strongest Basic)
-0.82
PSA
95.5 Å2
Refractivity
85.02 m3·mol-1
Polarizability
33.42 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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