3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE
Thuốc Gốc
Small Molecule
CTHH: C19H17BrO3
PTK: 373.24
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H17BrO3
Phân tử khối
373.24
Monoisotopic mass
372.036107057
InChI
InChI=1S/C19H17BrO3/c1-11(2)16(12-7-9-13(20)10-8-12)17-18(21)14-5-3-4-6-15(14)23-19(17)22/h3-11,16,21H,1-2H3/t16-/m0/s1
InChI Key
InChIKey=KGDWLSFLMSFPSU-INIZCTEOSA-N
IUPAC Name
3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxy-2H-chromen-2-one
Traditional IUPAC Name
3-[(1S)-1-(4-bromophenyl)-2-methylpropyl]-4-hydroxychromen-2-one
SMILES
[H][C@](C(C)C)(C1=CC=C(Br)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
Độ hòa tan
2.25e-03 g/l
logP
4.79
logS
-5.2
pKa (strongest acidic)
6
pKa (Strongest Basic)
-6.7
PSA
46.53 Å2
Refractivity
93.82 m3·mol-1
Polarizability
35.5 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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