4-[4-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phthalic acid

Formula:C24H17NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[4-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phthalic acid is a drug-like molecule.

MolName	4-[4-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]phthalic acid
MolecularFormula	C24H17NO6
Smiles	OC(c(ccc(C(c(cc1)ccc1NC(/C=C/c1ccccc1)=O)=O)c1)c1C(O)=O)=O
InChI	InChI=1S/C24H17NO6/c26-21(13-6-15-4-2-1-3-5-15)25-18-10-7-16(8-11-18)22(27)17-9-12-19(23(28)29)20(14-17)24(30)31/h1-14H,(H,25,26)(H,28,29)(H,30,31)
InChIK	QUNJPWQIAQHVOR-UHFFFAOYSA-N
TotalMolweight	415.4
Molweight	415.4
MonoisotopicMass	415.105589
CLogP	3.2365
CLogS	-5.624
H Acceptors	7
H Donors	3
TotalSurfaceArea	314.44
Relative PSA	0.28565
PolarSurfaceArea	120.77
Druglikeness	-0.0855
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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