Name: 3-(3-bromopropoxy)-5-(octadecyloxy)benzoic acid phenylmethyl ester
SMILES:
CCCCCCCCCCCCCCCCCCOc1cc(OCCCBr)cc(C(=O)OCc2ccccc2)c1Molecular Processing
Molecular formula
C35H53BrO4
Molecular weight
617.71
Exact mass
616.3127
XLogP
10.85
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
25
Heavy atoms
40
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.629
Molar refractivity
170.95
Supplementary Information
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