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

Formula:C21H21N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[(2E,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	2-chloro-N-[(2E,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C21H21N2O3Cl
Smiles	OCCCNC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C21H21ClN2O3/c22-18-12-5-4-11-17(18)20(26)24-19(21(27)23-14-7-15-25)13-6-10-16-8-2-1-3-9-16/h1-6,8-13,25H,7,14-15H2,(H,23,27)(H,24,26)
InChIK	WAMIJYQPIURRHW-UHFFFAOYSA-N
TotalMolweight	384.862
Molweight	384.862
MonoisotopicMass	384.12407
CLogP	3.9117
CLogS	-4.477
H Acceptors	5
H Donors	3
TotalSurfaceArea	305.7
Relative PSA	0.20314
PolarSurfaceArea	78.43
Druglikeness	1.89
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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