Tìm theo
6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine
Thuốc Gốc
Small Molecule
CTHH: C18H15N3O
PTK: 289.3312
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
289.3312
Monoisotopic mass
289.121512117
InChI
InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
InChI Key
InChIKey=AECPTICWHONWNW-UHFFFAOYSA-N
IUPAC Name
6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide
Traditional IUPAC Name
6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide
SMILES
NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1
Độ hòa tan
1.29e-02 g/l
logP
2.67
logS
-4.3
pKa (strongest acidic)
12.14
pKa (Strongest Basic)
11.22
PSA
78.97 Å2
Refractivity
99.71 m3·mol-1
Polarizability
32.28 Å3
Rotatable Bond Count
3
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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