N-[(Z)-(2-phenylspiro[4,4a,5,6,7,8-hexahydrocinnoline-3,2'-cyclohexane]-1'-ylidene)amino]aniline

Formula:C25H30N4 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-phenylspiro[4,4a,5,6,7,8-hexahydrocinnoline-3,2'-cyclohexane]-1'-ylidene)amino]aniline is not a drug-like molecule.

MolName	N-[(Z)-(2-phenylspiro[4,4a,5,6,7,8-hexahydrocinnoline-3,2'-cyclohexane]-1'-ylidene)amino]aniline
MolecularFormula	C25H30N4
Smiles	C(CC1)CC(CC2(CCCC3)/C3=N\Nc3ccccc3)C1=NN2c1ccccc1
InChI	InChI=1S/C25H30N4/c1-3-12-21(13-4-1)26-27-24-17-9-10-18-25(24)19-20-11-7-8-16-23(20)28-29(25)22-14-5-2-6-15-22/h1-6,12-15,20,26H,7-11,16-19H2
InChIK	ZWMBAKDHUIYDKE-UHFFFAOYSA-N
TotalMolweight	386.541
Molweight	386.541
MonoisotopicMass	386.247046
CLogP	7.28
CLogS	-5.361
H Acceptors	4
H Donors	1
TotalSurfaceArea	306.97
Relative PSA	0.12389
PolarSurfaceArea	39.99
Druglikeness	-1.8314
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
StereoCon	unknown chirality

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1 - N-[(Z)-(2-phenylspiro[4,4a,5,6,7,8-hexahydrocinnoline-3,2'-cyclohexane]-1'-ylidene)amino]aniline | 2 - N-[(Z)-(2-phenylspiro[4,4a,5,6,7,8-hexahydrocinnoline-3,2'-cyclohexane]-1'-ylidene)amino]aniline

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