ISDA: 6URY

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: R6T

IUPAC Name: 9-oxo-9H-fluorene-4-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1c2ccccc2-c2ccccc21

InChI: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChI Key: YLQWCDOCJODRMT-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C14 H9 N O2

Molecular weight: 223.227

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 17

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	9-oxo-9H-fluorene-4-carboxamide
OpenEye OEToolkits	2.0.7	9-oxidanylidenefluorene-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2cccc3C(=O)c1ccccc1c23)N
InChI	InChI	1.03	InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
InChIKey	InChI	1.03	PRROCNFTWSJBTJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1cccc2C(=O)c3ccccc3c12
SMILES	CACTVS	3.385	NC(=O)c1cccc2C(=O)c3ccccc3c12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O

Chemical Database Mapping