(2E)-2-[(4-chlorophenyl)methylidene]-1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1-ol

Formula:C20H18N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[(4-chlorophenyl)methylidene]-1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1-ol is a drug-like molecule.

MolName	(2E)-2-[(4-chlorophenyl)methylidene]-1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1-ol
MolecularFormula	C20H18N3OCl
Smiles	OC(Cn1ncnc1)(/C(/CC1)=C/c(cc2)ccc2Cl)c2c1cccc2
InChI	InChI=1S/C20H18ClN3O/c21-18-9-5-15(6-10-18)11-17-8-7-16-3-1-2-4-19(16)20(17,25)12-24-14-22-13-23-24/h1-6,9-11,13-14,25H,7-8,12H2/t20-/m0/s1
InChIK	VOXFTHQLPVYNNV-FQEVSTJZSA-N
TotalMolweight	351.836
Molweight	351.836
MonoisotopicMass	351.113839
CLogP	3.7132
CLogS	-4.485
H Acceptors	4
H Donors	1
TotalSurfaceArea	264.17
Relative PSA	0.15865
PolarSurfaceArea	50.94
Druglikeness	3.8779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon	racemate

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1 - (2E)-2-[(4-chlorophenyl)methylidene]-1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1-ol | 2 - (2E)-2-[(4-chlorophenyl)methylidene]-1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydronaphthalen-1-ol

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