Tìm theo
L-Histidine Beta Naphthylamide
Thuốc Gốc
Small Molecule
CTHH: C16H16N4O
PTK: 280.3244
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
280.3244
Monoisotopic mass
280.132411154
InChI
InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChI Key
InChIKey=DKDILZBBFKZMRO-OAHLLOKOSA-N
IUPAC Name
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-(naphthalen-2-yl)propanamide
Traditional IUPAC Name
(2R)-2-amino-3-(3H-imidazol-4-yl)-N-(naphthalen-2-yl)propanamide
SMILES
[H][[email protected]@](N)(CC1=CN=CN1)C(=O)NC1=CC=C2C=CC=CC2=C1
Độ hòa tan
1.04e-01 g/l
logP
1.07
logS
-3.4
pKa (strongest acidic)
12.75
pKa (Strongest Basic)
8.01
PSA
83.8 Å2
Refractivity
82.79 m3·mol-1
Polarizability
30.46 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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