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ZINC00218228 2,3-dihydroindol-1-yl-[(1S,2S)-2-phenylcyclopropyl]methan

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摘 要:ZINC00218228 2,3-dihydroindol-1-yl-[(1S,2S)-2-phenylcyclopropyl]methanone,Canonical SMILES: C1CN(C2=CC=CC=C21)C(=O)C3CC3C4=CC=CC=C4,Isomeric SMILES: C1CN(C2=CC=CC=C21)C(=O)[C@H]3C[C@@H]3C4=CC=CC=C4,InChI: InChI=1/C18H17NO/c20-18(16-12-15(16)13-6-2-1-
[Synonyms]
ZINC00218228
[Structure]
ZINC00218228 2,3-dihydroindol-1-yl-[(1S,2S)-2-phenylcyclopropyl]methan

[ Properties Computed from Structure]
Molecular Weight263.33368 [g/mol]
Molecular FormulaC18H17NO
XLogP2.9
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass263.131014
MonoIsotopic Mass263.131014
Topological Polar Surface Area20.3
Heavy Atom Count20
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydroindol-1-yl-[(1S,2S)-2-phenylcyclopropyl]methanone
Canonical SMILES: C1CN(C2=CC=CC=C21)C(=O)C3CC3C4=CC=CC=C4
Isomeric SMILES: C1CN(C2=CC=CC=C21)C(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1/C18H17NO/c20-18(16-12-15(16)13-6-2-1-3-7-13)19-11-10-14-8-4-5-9-
17(14)19/h1-9,15-16H,10-12H2/t15-,16+/m1/s1

 
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