Salophen iron chelate
Thuốc Gốc
Small Molecule
CTHH: C20H16FeN2O2
PTK: 372.198
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H16FeN2O2
Phân tử khối
372.198
Monoisotopic mass
372.056119899
InChI
InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,21-22H;/b15-13-,16-14-;
InChI Key
InChIKey=HKJALOIWYZKLPV-MWEBDPMNSA-N
IUPAC Name
(6Z)-6-({[2-({[(1Z)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl}amino)phenyl]amino}methylidene)cyclohexa-2,4-dien-1-one iron
Traditional IUPAC Name
(6Z)-6-({[2-({[(1Z)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl}amino)phenyl]amino}methylidene)cyclohexa-2,4-dien-1-one iron
SMILES
[Fe].O=C1C=CC=C\C1=C\NC1=CC=CC=C1N\C=C1\C=CC=CC1=O
logP
2.87
pKa (strongest acidic)
16.84
pKa (Strongest Basic)
-0.48
PSA
58.2 Å2
Refractivity
103.55 m3·mol-1
Polarizability
33.79 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
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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