N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]adamantane-1-carbohydrazide

Formula:C20H23N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]adamantane-1-carbohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]adamantane-1-carbohydrazide
MolecularFormula	C20H23N3O4
Smiles	[O-][N+](c1cc(/C=C/C(NNC(C2(CC(C3)C4)CC4CC3C2)=O)=O)ccc1)=O
InChI	InChI=1S/C20H23N3O4/c24-18(5-4-13-2-1-3-17(9-13)23(26)27)21-22-19(25)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,9,14-16H,6-8,10-12H2,(H,21,24)(H,22,25)
InChIK	UERNETXEJQEEJA-UHFFFAOYSA-N
TotalMolweight	369.42
Molweight	369.42
MonoisotopicMass	369.168857
CLogP	1.4785
CLogS	-5.125
H Acceptors	7
H Donors	2
TotalSurfaceArea	271.82
Relative PSA	0.29218
PolarSurfaceArea	104.02
Druglikeness	-3.3986
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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