1,3-bis[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]urea

Formula:C21H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-bis[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]urea is a drug-like molecule.

MolName	1,3-bis[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]urea
MolecularFormula	C21H18N4O3
Smiles	C#CCOc1cccc(/C=N\NC(N/N=C\c2cc(OCC#C)ccc2)=O)c1
InChI	InChI=1S/C21H18N4O3/c1-3-11-27-19-9-5-7-17(13-19)15-22-24-21(26)25-23-16-18-8-6-10-20(14-18)28-12-4-2/h1-2,5-10,13-16H,11-12H2,(H2,24,25,26)
InChIK	UMAKBLQZEBDUGK-UHFFFAOYSA-N
TotalMolweight	374.399
Molweight	374.399
MonoisotopicMass	374.137891
CLogP	3.5044
CLogS	-6.114
H Acceptors	7
H Donors	2
TotalSurfaceArea	318.35
Relative PSA	0.24809
PolarSurfaceArea	84.31
Druglikeness	3.0494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.75
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	13
StereoCon

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