[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]thiourea

Formula:C17H13N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:low [(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]thiourea is a drug-like molecule.

MolName	[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]thiourea
MolecularFormula	C17H13N5OS
Smiles	NC(N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1)=S
InChI	InChI=1S/C17H13N5OS/c18-17(24)22-21-16-11(9-10-5-1-4-8-14(10)23-16)15-19-12-6-2-3-7-13(12)20-15/h1-9H,(H,19,20)(H3,18,22,24)
InChIK	LYJKQEKOCRPJBO-UHFFFAOYSA-N
TotalMolweight	335.39
Molweight	335.39
MonoisotopicMass	335.08408
CLogP	2.1808
CLogS	-3.78
H Acceptors	6
H Donors	3
TotalSurfaceArea	252.82
Relative PSA	0.40028
PolarSurfaceArea	120.41
Druglikeness	2.3302
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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