[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-phenylbutanoate

Formula:C16H17N3O2 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-phenylbutanoate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-phenylbutanoate
MolecularFormula	C16H17N3O2
Smiles	N/C(/c1ccncc1)=N/OC(CCCc1ccccc1)=O
InChI	InChI=1S/C16H17N3O2/c17-16(14-9-11-18-12-10-14)19-21-15(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H2,17,19)
InChIK	HSUXLXQRBZFEIM-UHFFFAOYSA-N
TotalMolweight	283.33
Molweight	283.33
MonoisotopicMass	283.132077
CLogP	2.9781
CLogS	-3.246
H Acceptors	5
H Donors	1
TotalSurfaceArea	232.3
Relative PSA	0.26169
PolarSurfaceArea	77.57
Druglikeness	-11.183
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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