Name: methyl 6-anilinohexanoate
SMILES:
COC(=O)CCCCCNC1=CC=CC=C1Molecular Processing
Molecular formula
C13H19NO2
Molecular weight
221.3
Exact mass
221.1416
XLogP
2.83
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.42
Supplementary Information
InChIKey: ZXFNBPSRQPOCCQ-UHFFFAOYSA-N
Synonyme
SCHEMBL1472555methyl 6-(phenylamino)hexanoateZXFNBPSRQPOCCQ-UHFFFAOYSA-NN-(5-methoxycarbonylpentyl)anilineN-(5-methoxycarbonylpentyl)-aniline
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