N-[(E)-3-(benzylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H22N2O2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-3-(benzylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H22N2O2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cccc2ccccc12)NCc1ccccc1
InChI	InChI=1S/C27H22N2O2/c30-26(22-13-5-2-6-14-22)29-25(27(31)28-19-20-10-3-1-4-11-20)18-23-16-9-15-21-12-7-8-17-24(21)23/h1-18H,19H2,(H,28,31)(H,29,30)
InChIK	OSTOUXGUSJTQNU-UHFFFAOYSA-N
TotalMolweight	406.484
Molweight	406.484
MonoisotopicMass	406.168128
CLogP	5.3276
CLogS	-6.295
H Acceptors	4
H Donors	2
TotalSurfaceArea	324.27
Relative PSA	0.15111
PolarSurfaceArea	58.2
Druglikeness	3.4137
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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