6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine
Thuốc Gốc
Small Molecule
CTHH: C21H17ClN3O
PTK: 362.832
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
362.832
Monoisotopic mass
362.106014888
InChI
InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1
InChI Key
InChIKey=FEKRWNWZMOSVBX-UHFFFAOYSA-O
IUPAC Name
{amino[6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
Traditional IUPAC Name
{amino[6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
SMILES
NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC(=C2O)C2=CC=CC=C2)C=C1Cl
Độ hòa tan
2.97e-04 g/l
logP
3.97
logS
-6.1
pKa (strongest acidic)
9.27
pKa (Strongest Basic)
10.06
PSA
87.63 Å2
Refractivity
116.55 m3·mol-1
Polarizability
39.76 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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