N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline

Formula:C20H26N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline
MolecularFormula	C20H26N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C1)\C2=C1CCCCCCCCCC2)=O
InChI	InChI=1S/C20H26N4O4/c25-23(26)16-11-12-18(20(14-16)24(27)28)21-22-19-13-15-9-7-5-3-1-2-4-6-8-10-17(15)19/h11-12,14,21H,1-10,13H2
InChIK	SSLOTPWGPBXIFX-UHFFFAOYSA-N
TotalMolweight	386.45
Molweight	386.45
MonoisotopicMass	386.195406
CLogP	6.2362
CLogS	-5.657
H Acceptors	8
H Donors	1
TotalSurfaceArea	302.31
Relative PSA	0.27723
PolarSurfaceArea	116.03
Druglikeness	-8.6879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline | 2 - N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline

Request More Details | N-[(Z)-13-bicyclo[10.2.0]tetradec-1(12)-enylideneamino]-2,4-dinitroaniline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments