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摘 要:ZINC00192497 N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]propanamide,Canonical SMILES: CCC(=O)NC(C)CC1=CNC2=CC=CC=C21,Isomeric SMILES: CCC(=O)N[[email protected]](C)CC1=CNC2=CC=CC=C21,InChI: InChI=1/C14H18N2O/c1-3-14(17)16-10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,,9-10,15
[Synonyms]
ZINC00192497
[Structure]
ZINC00192497 N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]propanamide,Canonica

[ Properties Computed from Structure]
Molecular Weight230.30552 [g/mol]
Molecular FormulaC14H18N2O
XLogP2.4
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass230.141913
MonoIsotopic Mass230.141913
Topological Polar Surface Area44.9
Heavy Atom Count17
Formal Charge0
Complexity267
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: N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]propanamide
Canonical SMILES: CCC(=O)NC(C)CC1=CNC2=CC=CC=C21
Isomeric SMILES: CCC(=O)N[[email protected]](C)CC1=CNC2=CC=CC=C21
InChI: InChI=1/C14H18N2O/c1-3-14(17)16-10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,
9-10,15H,3,8H2,1-2H3,(H,16,17)/t10-/m1/s1/f/h16H

 
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