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MolName : (E)-3-(3-nitrophenyl)-N-[8-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]octyl]prop-2-enamide

MolecularFormula : C26H30N4O6

Smiles : [O-][N+](c1cccc(/C=C/C(NCCCCCCCCNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O

InChI : InChI=1S/C26H30N4O6/c31-25(15-13-21-9-7-11-23(19-21)29(33)34)27-17-5-3-1-2-4-6-18-28-26(32)16-14-22-10-8-12-24(20-22)30(35)36/h7-16,19-20H,1-6,17-18H2,(H,27,31)(H,28,32)

InChIK : FPBAHBQNIIWNEG-UHFFFAOYSA-N

TotalMolweight : 494.546

Molweight : 494.546

MonoisotopicMass : 494.216536

CLogP : 3.5738

CLogS : -6.138

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 401.86

Relative PSA : 0.27333

PolarSurfaceArea : 149.84

Druglikeness : -11.269

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.72222

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 15

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 18

Amides : 2

AcidicOxygens : 2

StereoCon :