Tìm theo
3-(1,10-Phenanthrol-2-Yl)-L-Alanine
Thuốc Gốc
Small Molecule
CTHH: C15H13N3O2
PTK: 267.2826
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
267.2826
Monoisotopic mass
267.100776675
InChI
InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
InChI Key
InChIKey=LODBCIBKOKOGNL-LBPRGKRZSA-N
IUPAC Name
(2S)-2-amino-3-(1,10-phenanthrolin-2-yl)propanoic acid
Traditional IUPAC Name
(2S)-2-amino-3-(1,10-phenanthrolin-2-yl)propanoic acid
SMILES
N[[email protected]@H](CC1=CC=C2C=CC3=C(N=CC=C3)C2=N1)C(O)=O
Độ hòa tan
1.21e-01 g/l
logP
-0.84
logS
-3.3
pKa (strongest acidic)
2.14
pKa (Strongest Basic)
9.28
PSA
89.1 Å2
Refractivity
72.38 m3·mol-1
Polarizability
27.5 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
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