1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-(2-phenylethyl)thiourea

Formula:C21H17N3OS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-(2-phenylethyl)thiourea is a drug-like molecule.

MolName	1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-(2-phenylethyl)thiourea
MolecularFormula	C21H17N3OS
Smiles	O=C(c1c(c2ccc3)c3ccc1)/C2=N/NC(NCCc1ccccc1)=S
InChI	InChI=1S/C21H17N3OS/c25-20-17-11-5-9-15-8-4-10-16(18(15)17)19(20)23-24-21(26)22-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,22,24,26)
InChIK	WGMKQHWIHYBCDV-UHFFFAOYSA-N
TotalMolweight	359.452
Molweight	359.452
MonoisotopicMass	359.109232
CLogP	4.364
CLogS	-6.445
H Acceptors	4
H Donors	2
TotalSurfaceArea	277.99
Relative PSA	0.27148
PolarSurfaceArea	85.58
Druglikeness	3.0519
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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