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NCIOpen2_007911,NSC60625, 1-phenyl-1-[3-phenyl-1-(phenylmethyl)aziridi

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摘 要:NCIOpen2_007911,NSC60625, 1-phenyl-1-[3-phenyl-1-(phenylmethyl)aziridin-2-yl]ethanol,Canonical SMILES: CC(C1C(N1CC2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)O,InChI: InChI=1/C23H23NO/c1-23(25,,20-15-9-4-10-16-20)22-21(19-13-7-3-8-14-19)24(22)17-18-11-5-2-6-
[Synonyms]
NCIOpen2_007911
NSC60625

[Structure]
NCIOpen2_007911,NSC60625, 1-phenyl-1-[3-phenyl-1-(phenylmethyl)aziridi

[ Properties Computed from Structure]
Molecular Weight329.43482 [g/mol]
Molecular FormulaC23H23NO
XLogP4.6
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass329.177964
MonoIsotopic Mass329.177964
Topological Polar Surface Area23.2
Heavy Atom Count25
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-phenyl-1-[3-phenyl-1-(phenylmethyl)aziridin-2-yl]ethanol
Canonical SMILES: CC(C1C(N1CC2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI: InChI=1/C23H23NO/c1-23(25,
20-15-9-4-10-16-20)22-21(19-13-7-3-8-14-19)24(22)17-18-11-5-2-6-12-18/
h2-16,21-22,25H,17H2,1H3

 
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