C=CCC(C)(C)C(O)C(c1cccc(OC)c1)n1ccnc1
SMILES: C=CCC(C)(C)C(O)C(c1cccc(OC)c1)n1ccnc1

Molecular Processing

Molecular formula
C18H24N2O2
Molecular weight
300.4
Exact mass
300.1838
XLogP
3.44
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
87.96

Supplementary Information

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