N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C21H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C21H22N2O3
Smiles	OCCCNC(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)=O
InChI	InChI=1S/C21H22N2O3/c24-16-8-15-22-21(26)19(14-7-11-17-9-3-1-4-10-17)23-20(25)18-12-5-2-6-13-18/h1-7,9-14,24H,8,15-16H2,(H,22,26)(H,23,25)
InChIK	GGHXSLKSKBCPAQ-UHFFFAOYSA-N
TotalMolweight	350.417
Molweight	350.417
MonoisotopicMass	350.163043
CLogP	3.3057
CLogS	-3.741
H Acceptors	5
H Donors	3
TotalSurfaceArea	290.28
Relative PSA	0.21393
PolarSurfaceArea	78.43
Druglikeness	1.8278
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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