N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carboxamide

Formula:C21H26N4OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carboxamide
MolecularFormula	C21H26N4OCl2
Smiles	O=C(c1n[nH]c2c1CCCCCCCCCC2)N/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C21H26Cl2N4O/c22-16-12-11-15(18(23)13-16)14-24-27-21(28)20-17-9-7-5-3-1-2-4-6-8-10-19(17)25-26-20/h11-14H,1-10H2,(H,25,26)(H,27,28)
InChIK	KCVHWIJKTKLFQR-UHFFFAOYSA-N
TotalMolweight	421.37
Molweight	421.37
MonoisotopicMass	420.148365
CLogP	6.5922
CLogS	-6.526
H Acceptors	5
H Donors	2
TotalSurfaceArea	330.26
Relative PSA	0.18461
PolarSurfaceArea	70.14
Druglikeness	1.1752
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carboxamide

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