(E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide

Formula:C21H24N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName(E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide
MolecularFormulaC21H24N2O2Cl2
SmilesO=C(CC1(CC(C2)C3)CC3CC2C1)NNC(/C=C/c1cc(Cl)cc(Cl)c1)=O
InChIInChI=1S/C21H24Cl2N2O2/c22-17-6-13(7-18(23)8-17)1-2-19(26)24-25-20(27)12-21-9-14-3-15(10-21)5-16(4-14)11-21/h1-2,6-8,14-16H,3-5,9-12H2,(H,24,26)(H,25,27)
InChIKCRAHFTGNFJDEGX-UHFFFAOYSA-N
TotalMolweight407.34
Molweight407.34
MonoisotopicMass406.121482
CLogP4.0665
CLogS-6.407
H Acceptors4
H Donors2
TotalSurfaceArea292.75
Relative PSA0.16738
PolarSurfaceArea58.2
Druglikeness1.1196
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55556
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Symmetricatoms9
StereoCon

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