O=C(NCCc1ccc(O)cc1)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
SMILES: O=C(NCCc1ccc(O)cc1)c1cccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

Molecular Processing

Molecular formula
C37H34N2O3
Molecular weight
554.69
Exact mass
554.2569
XLogP
8.11
TPSA
75.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
42
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.189
Molar refractivity
166.98

Supplementary Information

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