(E)-4-[2-(4-cyclopentyloxybenzoyl)hydrazinyl]-4-oxobut-2-enoic acid

Formula:C16H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(4-cyclopentyloxybenzoyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(4-cyclopentyloxybenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
MolecularFormula	C16H18N2O5
Smiles	OC(/C=C/C(NNC(c(cc1)ccc1OC1CCCC1)=O)=O)=O
InChI	InChI=1S/C16H18N2O5/c19-14(9-10-15(20)21)17-18-16(22)11-5-7-13(8-6-11)23-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,17,19)(H,18,22)(H,20,21)
InChIK	FJGSEJGGSOGOKH-UHFFFAOYSA-N
TotalMolweight	318.328
Molweight	318.328
MonoisotopicMass	318.121573
CLogP	0.6978
CLogS	-3.249
H Acceptors	7
H Donors	3
TotalSurfaceArea	246.32
Relative PSA	0.34565
PolarSurfaceArea	104.73
Druglikeness	0.068044
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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