[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate

Formula:C22H16N4O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate
MolecularFormula	C22H16N4O2
Smiles	N/C(/c1ccncc1)=N/OC(c1cc(-c2ccccc2)nc2ccccc12)=O
InChI	InChI=1S/C22H16N4O2/c23-21(16-10-12-24-13-11-16)26-28-22(27)18-14-20(15-6-2-1-3-7-15)25-19-9-5-4-8-17(18)19/h1-14H,(H2,23,26)
InChIK	UXQHSUZYYFUKGN-UHFFFAOYSA-N
TotalMolweight	368.395
Molweight	368.395
MonoisotopicMass	368.127326
CLogP	4.1374
CLogS	-5.225
H Acceptors	6
H Donors	1
TotalSurfaceArea	284.14
Relative PSA	0.25255
PolarSurfaceArea	90.46
Druglikeness	-2.754
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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