COC(=O)C(C=O)N(C=O)C1CCCC2=CC=CC=C12
名称: methyl 2-[formyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropanoate
SMILES: COC(=O)C(C=O)N(C=O)C1CCCC2=CC=CC=C12

Molecular Processing

Molecular formula
C15H17NO4
Molecular weight
275.3
Exact mass
275.1158
XLogP
1.26
TPSA
63.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
71.89

Supplementary Information

InChIKey: YLAUZOIIUXPDJG-UHFFFAOYSA-N
同義語
SCHEMBL9495281YLAUZOIIUXPDJG-UHFFFAOYSA-NN,alpha-bis-formyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl) glycine methyl esterN,alpha-bis-formyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)glycine methyl ester
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