COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCNCC(O)c1ccccc1
SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCNCC(O)c1ccccc1

Molecular Processing

Molecular formula
C27H31N3O8
Molecular weight
525.56
Exact mass
525.2111
XLogP
2.88
TPSA
149.26
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
138.17

Supplementary Information

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