(2E)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

Formula:C18H14N4O Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.

MolName	(2E)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
MolecularFormula	C18H14N4O
Smiles	O=C(/C(/CC1)=C/c(cc2)ccc2-c2n[nH]nn2)c2c1cccc2
InChI	InChI=1S/C18H14N4O/c23-17-15(10-9-13-3-1-2-4-16(13)17)11-12-5-7-14(8-6-12)18-19-21-22-20-18/h1-8,11H,9-10H2,(H,19,20,21,22)
InChIK	QQFZRKDTGCDYIS-UHFFFAOYSA-N
TotalMolweight	302.336
Molweight	302.336
MonoisotopicMass	302.116761
CLogP	3.2792
CLogS	-5.565
H Acceptors	5
H Donors	1
TotalSurfaceArea	235.11
Relative PSA	0.25494
PolarSurfaceArea	71.53
Druglikeness	-2.9515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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