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(2R)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propanoic acid,Canoni

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摘 要: (2R)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propanoic acid,Canonical SMILES: CC(C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)N3CCOCC3,Isomeric SMILES: C[C@H](C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)N3CCOCC3,InChI: InChI=1/C14H17N5O3/c1-10(14(20)21)19-16-13(15-17-19)11
[Synonyms]

[Structure]
 (2R)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propanoic acid,Canoni

[ Properties Computed from Structure]
Molecular Weight303.31648 [g/mol]
Molecular FormulaC14H17N5O3
XLogP-0.2
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count4
Exact Mass303.133139
MonoIsotopic Mass303.133139
Topological Polar Surface Area93.4
Heavy Atom Count22
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propanoic acid
Canonical SMILES: CC(C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)N3CCOCC3
Isomeric SMILES: C[C@H](C(=O)O)N1N=C(N=N1)C2=CC=C(C=C2)N3CCOCC3
InChI: InChI=1/C14H17N5O3/c1-10(14(20)21)19-16-13(15-17-19)11-2-4-12(5-3-11)18-
6-8-22-9-7-18/h2-5,10H,6-9H2,1H3,(H,20,21)/t10-/m1/s1/f/h20H

 
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