CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
Nombre: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Molecular Processing

Molecular formula
C42H40N2O6
Molecular weight
668.79
Exact mass
668.2886
XLogP
8.27
TPSA
121.54
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
50
Rings
7
Aromatic rings
6
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.19
Molar refractivity
198.42

Supplementary Information

InChIKey: SBDXQUVAAJKLDH-UHFFFAOYSA-N
Sinónimos
SCHEMBL41090SBDXQUVAAJKLDH-UHFFFAOYSA-NPD052191
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