CC(C)N1CCN(C(=O)c2cc(C=O)cn2C)CC1
名称: 5-(4-Isopropyl-piperazine-1-carbonyl)-1-methyl-1H-pyrrole-3-carbaldehyde
SMILES: CC(C)N1CCN(C(=O)c2cc(C=O)cn2C)CC1

Molecular Processing

Molecular formula
C14H21N3O2
Molecular weight
263.34
Exact mass
263.1634
XLogP
1
TPSA
45.55
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
73.41

Supplementary Information

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