1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole

Formula:C17H16N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole is a drug-like molecule.

MolName	1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
MolecularFormula	C17H16N2O3Cl2
Smiles	C#CCOC[C@@H]1O[C@@](Cn2cncc2)(c(ccc(Cl)c2)c2Cl)OC1
InChI	InChI=1S/C17H16Cl2N2O3/c1-2-7-22-9-14-10-23-17(24-14,11-21-6-5-20-12-21)15-4-3-13(18)8-16(15)19/h1,3-6,8,12,14H,7,9-11H2/t14-,17+/m1/s1
InChIK	SWKACZZMDOWWGU-PBHICJAKSA-N
TotalMolweight	367.231
Molweight	367.231
MonoisotopicMass	366.053797
CLogP	2.0385
CLogS	-2.403
H Acceptors	5
TotalSurfaceArea	270.08
Relative PSA	0.17713
PolarSurfaceArea	45.51
Druglikeness	2.975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole | 2 - 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole

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