LACHESINE

Search structure


Synonyms:	Lachesine cation Lachesine ion
Status:	Approved
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	676774V4XX

Structure


InChI Key	XRJIGJFEKPXBTD-UHFFFAOYSA-N
Smile	CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C20H26NO3/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,4,15-16H2,1-3H3/q+1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H26NO3+
Molecular Weight	328.43
AlogP	2.56
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	46.53
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	24.0

Cross References

Resources	Reference
ChEMBL	CHEMBL2110848
EPA CompTox	DTXSID40164953
FDA SRS	676774V4XX
PubChem	14416
ZINC	ZINC000002002895

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