O=C(c1cc(Cl)ncn1)N1CCC2CCCCC21
Name: (6-chloropyrimidin-4-yl)-(octahydroindol-1-yl)-methanone
SMILES: O=C(c1cc(Cl)ncn1)N1CCC2CCCCC21

Molecular Processing

Molecular formula
C13H16ClN3O
Molecular weight
265.74
Exact mass
265.0982
XLogP
2.53
TPSA
46.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
68.44

Supplementary Information

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Involved in 3 reactions