O=C(O)[C@H](Cc1ccsc1)NN1C(=O)c2ccccc2C1=O
Name: N-phthalimido-3-(3-thienyl)-L-alanine
SMILES: O=C(O)[C@H](Cc1ccsc1)NN1C(=O)c2ccccc2C1=O

Molecular Processing

Molecular formula
C15H12N2O4S
Molecular weight
316.34
Exact mass
316.0518
XLogP
1.54
TPSA
86.71
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
79.52

Supplementary Information

Details werden geladen…

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