(E)-N'-[2-(1-adamantyl)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide

Formula:C21H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(1-adamantyl)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName	(E)-N'-[2-(1-adamantyl)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
MolecularFormula	C21H25N3O4
Smiles	[O-][N+](c1ccc(/C=C/C(NNC(CC2(CC(C3)C4)CC4CC3C2)=O)=O)cc1)=O
InChI	InChI=1S/C21H25N3O4/c25-19(6-3-14-1-4-18(5-2-14)24(27)28)22-23-20(26)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,15-17H,7-13H2,(H,22,25)(H,23,26)
InChIK	QSPINRBNKWNAJI-UHFFFAOYSA-N
TotalMolweight	383.447
Molweight	383.447
MonoisotopicMass	383.184507
CLogP	1.9329
CLogS	-5.395
H Acceptors	7
H Donors	2
TotalSurfaceArea	285.58
Relative PSA	0.2781
PolarSurfaceArea	104.02
Druglikeness	-4.021
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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