Tìm theo
Acetyl Dithranol
Thuốc Gốc
Small Molecule
CTHH: C16H12O5
PTK: 284.2635
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
284.2635
Monoisotopic mass
284.068473494
InChI
InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19)
InChI Key
InChIKey=IXLRLZOYKJERRA-UHFFFAOYSA-N
IUPAC Name
2-(1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid
Traditional IUPAC Name
acetyl dithranol
SMILES
OC(=O)CC1=C(O)C2=C(CC3=C(C(O)=CC=C3)C2=O)C=C1
Độ hòa tan
9.48e-02 g/l
logP
3.88
logS
-3.5
pKa (strongest acidic)
3.41
pKa (Strongest Basic)
-4.4
PSA
94.83 Å2
Refractivity
75.58 m3·mol-1
Polarizability
28.29 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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