Tìm theo
6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Thuốc Gốc
Small Molecule
CTHH: C12H22N2O2
PTK: 226.3153
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
226.3153
Monoisotopic mass
226.168127958
InChI
InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1
InChI Key
InChIKey=FCDJKFJACUMSOZ-AXFHLTTASA-N
IUPAC Name
(6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide
Traditional IUPAC Name
(6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide
SMILES
[H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O
Độ hòa tan
4.37e-01 g/l
logP
0.43
logS
-2.7
pKa (strongest acidic)
14.75
pKa (Strongest Basic)
12.87
PSA
87.17 Å2
Refractivity
73.55 m3·mol-1
Polarizability
25.7 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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