4-[(Z)-[4-[(Z)-(4-carboxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzoic acid

Formula:C20H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[4-[(Z)-(4-carboxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[4-[(Z)-(4-carboxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]benzoic acid
MolecularFormula	C20H20N4O4
Smiles	OC(c1ccc(/C=N\N(CC2)CCN2/N=C\c(cc2)ccc2C(O)=O)cc1)=O
InChI	InChI=1S/C20H20N4O4/c25-19(26)17-5-1-15(2-6-17)13-21-23-9-11-24(12-10-23)22-14-16-3-7-18(8-4-16)20(27)28/h1-8,13-14H,9-12H2,(H,25,26)(H,27,28)
InChIK	RXYHQZINPHMWQQ-UHFFFAOYSA-N
TotalMolweight	380.403
Molweight	380.403
MonoisotopicMass	380.148456
CLogP	2.2292
CLogS	-3.316
H Acceptors	8
H Donors	2
TotalSurfaceArea	292.88
Relative PSA	0.28134
PolarSurfaceArea	105.8
Druglikeness	4.8563
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	17
AcidicOxygens	2
StereoCon

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