5-[[(E)-3-phenylprop-2-enyl]amino]-1,3-dihydrobenzimidazol-2-one

Formula:C16H15N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-phenylprop-2-enyl]amino]-1,3-dihydrobenzimidazol-2-one is a drug-like molecule.

MolName	5-[[(E)-3-phenylprop-2-enyl]amino]-1,3-dihydrobenzimidazol-2-one
MolecularFormula	C16H15N3O
Smiles	O=C1Nc(cc(cc2)NC/C=C/c3ccccc3)c2N1
InChI	InChI=1S/C16H15N3O/c20-16-18-14-9-8-13(11-15(14)19-16)17-10-4-7-12-5-2-1-3-6-12/h1-9,11,17H,10H2,(H2,18,19,20)
InChIK	MTDRZHICCPMLQM-UHFFFAOYSA-N
TotalMolweight	265.315
Molweight	265.315
MonoisotopicMass	265.121512
CLogP	2.3776
CLogS	-4.458
H Acceptors	4
H Donors	3
TotalSurfaceArea	211.91
Relative PSA	0.22377
PolarSurfaceArea	53.16
Druglikeness	0.77696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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