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C18H17N5O7 | Cheminformatics

N'-[4-(morpholine-4-carbonyl)phenyl]-3,5-dinitrobenzohydrazide

Molecular Formula : C18H17N5O7 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[4-(morpholine-4-carbonyl)phenyl]-3,5-dinitrobenzohydrazide is not a drug-like molecule.

MolName : N'-[4-(morpholine-4-carbonyl)phenyl]-3,5-dinitrobenzohydrazide

MolecularFormula : C18H17N5O7

Smiles : [O-][N+](c1cc(C(NNc(cc2)ccc2C(N2CCOCC2)=O)=O)cc([N+]([O-])=O)c1)=O

InChI : InChI=1S/C18H17N5O7/c24-17(13-9-15(22(26)27)11-16(10-13)23(28)29)20-19-14-3-1-12(2-4-14)18(25)21-5-7-30-8-6-21/h1-4,9-11,19H,5-8H2,(H,20,24)

InChIK : BWOOWWUOZLDFNY-UHFFFAOYSA-N

TotalMolweight : 415.361

Molweight : 415.361

MonoisotopicMass : 415.1128

CLogP : 1.088

CLogS : -3.368

H Acceptors : 12

H Donors : 2

TotalSurfaceArea : 300.62

Relative PSA : 0.41045

PolarSurfaceArea : 162.31

Druglikeness : -1.1814

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 9

Amides : 1

AcidicOxygens : 2

StereoCon :

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