METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE
Thuốc Gốc
Small Molecule
CTHH: C19H18O3
PTK: 294.3444
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
294.3444
Monoisotopic mass
294.125594442
InChI
InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+
InChI Key
InChIKey=VEJCBCPEURAYAS-MEAXDALNSA-N
IUPAC Name
methyl (2E)-3-methoxy-2-{2-[(E)-2-phenylethenyl]phenyl}prop-2-enoate
Traditional IUPAC Name
methyl (2E)-3-methoxy-2-{2-[(E)-2-phenylethenyl]phenyl}prop-2-enoate
SMILES
CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1
Độ hòa tan
9.31e-04 g/l
logP
4.44
logS
-5.5
pKa (Strongest Basic)
-4.8
PSA
35.53 Å2
Refractivity
88.7 m3·mol-1
Polarizability
32.43 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
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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