Tìm theo
5-(2-CHLOROBENZYL)-2-FUROIC ACID
Thuốc Gốc
Small Molecule
CTHH: C12H9ClO3
PTK: 236.651
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
236.651
Monoisotopic mass
236.024021861
InChI
InChI=1S/C12H9ClO3/c13-10-4-2-1-3-8(10)7-9-5-6-11(16-9)12(14)15/h1-6H,7H2,(H,14,15)
InChI Key
InChIKey=YRUPEIZURHOLHV-UHFFFAOYSA-N
IUPAC Name
5-[(2-chlorophenyl)methyl]furan-2-carboxylic acid
Traditional IUPAC Name
5-[(2-chlorophenyl)methyl]furan-2-carboxylic acid
SMILES
OC(=O)C1=CC=C(CC2=CC=CC=C2Cl)O1
Độ hòa tan
4.33e-02 g/l
logP
3.15
logS
-3.7
pKa (strongest acidic)
3.15
pKa (Strongest Basic)
-4.4
PSA
50.44 Å2
Refractivity
60.28 m3·mol-1
Polarizability
22.72 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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