2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione

Formula:C30H25N5O3 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione is not a drug-like molecule.

MolName	2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
MolecularFormula	C30H25N5O3
Smiles	[N-]=[N+]=Nc1ccc(/C=C/C(c(cc2)ccc2NC(C(c(cccc2)c2C2=O)=O)=C2N2CCCCC2)=O)cc1
InChI	InChI=1S/C30H25N5O3/c31-34-33-23-13-8-20(9-14-23)10-17-26(36)21-11-15-22(16-12-21)32-27-28(35-18-4-1-5-19-35)30(38)25-7-3-2-6-24(25)29(27)37/h2-3,6-17,32H,1,4-5,18-19H2
InChIK	HHCBOUBSYYCQRK-UHFFFAOYSA-N
TotalMolweight	503.56
Molweight	503.56
MonoisotopicMass	503.19574
CLogP	5.3709
CLogS	-7.716
H Acceptors	8
H Donors	1
TotalSurfaceArea	389.65
Relative PSA	0.23488
PolarSurfaceArea	92.44
Druglikeness	-1.8399
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	2,3-diamino-quinone
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
StereoCon

Click to Load Molecule:

1 - 2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione | 2 - 2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione

Request More Details | 2-[4-[(E)-3-(4-azidophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments