3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione

Formula:C10H13N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione is a drug-like molecule.

MolName	3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione
MolecularFormula	C10H13N5O4
Smiles	C=CCC(CC=C)(C(NN=C(N)N1[N+]([O-])=O)=O)C1=O
InChI	InChI=1S/C10H13N5O4/c1-3-5-10(6-4-2)7(16)12-13-9(11)14(8(10)17)15(18)19/h3-4H,1-2,5-6H2,(H2,11,13)(H,12,16)
InChIK	ZCGXVDFOMRHQOX-UHFFFAOYSA-N
TotalMolweight	267.244
Molweight	267.244
MonoisotopicMass	267.096755
CLogP	-0.9662
CLogS	-3.106
H Acceptors	9
H Donors	2
TotalSurfaceArea	199.43
Relative PSA	0.49285
PolarSurfaceArea	133.61
Druglikeness	-0.53807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	N-nitro
Shape Index	0.42105
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Sp3Atoms	4
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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1 - 3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione | 2 - 3-amino-4-nitro-6,6-bis(prop-2-enyl)-1H-1,2,4-triazepine-5,7-dione

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