Tìm theo
Hymenialdisine
Thuốc Gốc
Small Molecule
CTHH: C11H10BrN5O2
PTK: 324.133
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H10BrN5O2
Phân tử khối
324.133
Monoisotopic mass
323.001787236
InChI
InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
InChI Key
InChIKey=QPCBNXNDVYOBIP-WHFBIAKZSA-N
IUPAC Name
5-[(3aR,4S)-2-bromo-8-oxo-3aH,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-yl]-2-amino-4H-imidazol-4-one
Traditional IUPAC Name
hymenialdisine
SMILES
[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O
Độ hòa tan
1.63e-01 g/l
logP
0.057
logS
-3.3
pKa (strongest acidic)
7.12
pKa (Strongest Basic)
0.32
PSA
109.27 Å2
Refractivity
80.33 m3·mol-1
Polarizability
26.65 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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