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Veverimer
Also known as:
Molecular Formula
C14H29Cl2N3
Molecular Weight
310.3  g/mol
InChI Key
BVCUKLLDEVBJBT-UHFFFAOYSA-N

1 2D Structure

Veverimer

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N,N'-bis(prop-2-enyl)propane-1,3-diamine;1,2-dichloroethane;prop-2-en-1-amine
2.1.2 InChI
InChI=1S/C9H18N2.C3H7N.C2H4Cl2/c1-3-6-10-8-5-9-11-7-4-2;1-2-3-4;3-1-2-4/h3-4,10-11H,1-2,5-9H2;2H,1,3-4H2;1-2H2
2.1.3 InChI Key
BVCUKLLDEVBJBT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CCN.C=CCNCCCNCC=C.C(CCl)Cl
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Trc101

2.3 Create Date
2019-04-21
3 Chemical and Physical Properties
Molecular Weight 310.3 g/mol
Molecular Formula C14H29Cl2N3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass309.1738533 g/mol
Monoisotopic Mass309.1738533 g/mol
Topological Polar Surface Area50.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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