ISDA: 9VZ3

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EUA

IUPAC Name: (2~{R})-2-phenylmorpholine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc([C@@H]2CNCCO2)cc1

InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2/t10-/m0/s1

InChI Key: ZLNGFYDJXZZFJP-JTQLQIEISA-N

Physiochemical Descriptor:

Formula: C10 H13 N O

Molecular weight: 163.216

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 12

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(2~{R})-2-phenylmorpholine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2/t10-/m0/s1
InChIKey	InChI	1.06	ZLNGFYDJXZZFJP-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	C1CO[C@@H](CN1)c2ccccc2
SMILES	CACTVS	3.385	C1CO[CH](CN1)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@@H]2CNCCO2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2CNCCO2