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ChemDiv3_005775,NCIOpen2_005399,NSC88265,IDI1_023685,AE-473/31198039,2

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摘 要:ChemDiv3_005775,NCIOpen2_005399,NSC88265,IDI1_023685,AE-473/31198039,22401-71-4, 3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole,Canonical SMILES: CC(C)(C)C1CCC2=C(C1)C3=CC=CC=C3N2,InChI: InChI=1/C16H21N/c1-16(2,,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17
[Synonyms]
ChemDiv3_005775
NCIOpen2_005399
NSC88265
IDI1_023685
AE-473/31198039
22401-71-4

[Structure]
ChemDiv3_005775,NCIOpen2_005399,NSC88265,IDI1_023685,AE-473/31198039,2

[ Properties Computed from Structure]
Molecular Weight227.34464 [g/mol]
Molecular FormulaC16H21N
XLogP5.1
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count1
Exact Mass227.1674
MonoIsotopic Mass227.1674
Topological Polar Surface Area15.8
Heavy Atom Count17
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole
Canonical SMILES: CC(C)(C)C1CCC2=C(C1)C3=CC=CC=C3N2
InChI: InChI=1/C16H21N/c1-16(2,
3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-7,11,17H,8-10H2,1-3H3

 
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