이름: N-(3-{5-[3-(formamido)prop-1-ynyl]pyridin-2-yl}prop-2-ynyl)formamide
SMILES:
O=CNCC#Cc1ccc(C#CCNC=O)nc1Molecular Processing
Molecular formula
C13H11N3O2
Molecular weight
241.25
Exact mass
241.0851
XLogP
-0.72
TPSA
71.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
66.13
Supplementary Information
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