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ZINC00527118 N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]ace

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摘 要:ZINC00527118 N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide,Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC=C2CCCC2=O,Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)N\C=C\2/CCCC2=O,InChI: InChI=1/C14H16N2O2/c1-10(17)16-13-7-5-12(6-8-13)15-9-11-3-2-4-
[Synonyms]
ZINC00527118
[Structure]
ZINC00527118 N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]ace

[ Properties Computed from Structure]
Molecular Weight244.28904 [g/mol]
Molecular FormulaC14H16N2O2
XLogP0.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count10
Exact Mass244.121178
MonoIsotopic Mass244.121178
Topological Polar Surface Area58.2
Heavy Atom Count18
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC=C2CCCC2=O
Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)N\C=C\2/CCCC2=O
InChI: InChI=1/C14H16N2O2/c1-10(17)16-13-7-5-12(6-8-13)15-9-11-3-2-4-14(11)18/
h5-9,15H,2-4H2,1H3,(H,16,17)/b11-9+/f/h16H

 
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