1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

Formula:C23H21NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid is a drug-like molecule.

MolName	1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
MolecularFormula	C23H21NO6
Smiles	OC(C(CC1)(CCN1C(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)c1ccccc1)=O
InChI	InChI=1S/C23H21NO6/c25-17-6-7-18-15(13-21(27)30-19(18)14-17)12-20(26)24-10-8-23(9-11-24,22(28)29)16-4-2-1-3-5-16/h1-7,13-14,25H,8-12H2,(H,28,29)
InChIK	NMFVSVXUFAFWOZ-UHFFFAOYSA-N
TotalMolweight	407.421
Molweight	407.421
MonoisotopicMass	407.136889
CLogP	2.0013
CLogS	-3.131
H Acceptors	7
H Donors	2
TotalSurfaceArea	296.19
Relative PSA	0.26628
PolarSurfaceArea	104.14
Druglikeness	3.137
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid | 2 - 1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

Request More Details | 1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments