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dinotefuran

dinotefuran

CAS: 165252-70-0

Formula: C7H14N4O3

SMILES: CNC(NCC1CCOC1)=N[N+]([O-])=O

IUPAC: N-methyl-N''-nitro-N'-[(oxolan-3-yl)methyl]guanidine

InChI: InChI=1/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)

Composition: C (41.58%), H (6.98%), N (27.71%), O (23.74%)

Molar Mass: 202.214

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 202.106590327
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey YKBZOVFACRVRJN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.49
Topological Polar Surface Area 88.79
Polarizability 18.65
Ring Count 1
Rotatable Bond Count 3

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