1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea

Formula:C17H13N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea is a drug-like molecule.

MolName	1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea
MolecularFormula	C17H13N5O3S
Smiles	N#C/C(/C(NNC(Nc1ccccc1)=S)=O)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C17H13N5O3S/c18-11-13(9-12-5-4-8-15(10-12)22(24)25)16(23)20-21-17(26)19-14-6-2-1-3-7-14/h1-10H,(H,20,23)(H2,19,21,26)
InChIK	JITAXCAVUCTJCQ-UHFFFAOYSA-N
TotalMolweight	367.388
Molweight	367.388
MonoisotopicMass	367.07391
CLogP	1.2678
CLogS	-5.012
H Acceptors	8
H Donors	3
TotalSurfaceArea	287.95
Relative PSA	0.41466
PolarSurfaceArea	154.86
Druglikeness	-6.2165
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea | 2 - 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea

Request More Details | 1-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-phenylthiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments