(E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C25H26N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C25H26N2O3
Smiles	[O-][N+](c1cc(/C=C/C(Nc2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)ccc1)=O
InChI	InChI=1S/C25H26N2O3/c28-24(9-4-17-2-1-3-23(13-17)27(29)30)26-22-7-5-21(6-8-22)25-14-18-10-19(15-25)12-20(11-18)16-25/h1-9,13,18-20H,10-12,14-16H2,(H,26,28)
InChIK	NWGJSXLKDBUYLC-UHFFFAOYSA-N
TotalMolweight	402.492
Molweight	402.492
MonoisotopicMass	402.194343
CLogP	4.345
CLogS	-6.666
H Acceptors	5
H Donors	1
TotalSurfaceArea	302.37
Relative PSA	0.18163
PolarSurfaceArea	74.92
Druglikeness	-5.0955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	8
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Request More Details | (E)-N-[4-(1-adamantyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments