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3-(3-propylphenyl)benzohydrazide,Canonical SMILES: CCCC1=CC=CC(=C1)C2

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摘 要: 3-(3-propylphenyl)benzohydrazide,Canonical SMILES: CCCC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)NN,InChI: InChI=1/C16H18N2O/c1-2-5-12-6-3-7-13(10-12)14-8-4-9-15(11-14)16(19)18-,17/h3-4,6-11H,2,5,17H2,1H3,(H,18,19)/f/h18H,Molecular Weight254.32692 [g/mol]Molecu
[Synonyms]

[Structure]
 3-(3-propylphenyl)benzohydrazide,Canonical SMILES: CCCC1=CC=CC(=C1)C2

[ Properties Computed from Structure]
Molecular Weight254.32692 [g/mol]
Molecular FormulaC16H18N2O
XLogP3.8
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass254.141913
MonoIsotopic Mass254.141913
Topological Polar Surface Area55.1
Heavy Atom Count19
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(3-propylphenyl)benzohydrazide
Canonical SMILES: CCCC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)NN
InChI: InChI=1/C16H18N2O/c1-2-5-12-6-3-7-13(10-12)14-8-4-9-15(11-14)16(19)18-
17/h3-4,6-11H,2,5,17H2,1H3,(H,18,19)/f/h18H

 
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