이름: pent-3-enenitrile
SMILES:
CC=CCC#NMolecular Processing
Molecular formula
C5H7N
Molecular weight
81.12
Exact mass
81.0578
XLogP
1.48
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
25.04
Supplementary Information
InChIKey: UVKXJAUUKPDDNW-UHFFFAOYSA-N
동의어
DTXSID10258513-Pentenenitrile, Pract.SCHEMBL155326SCHEMBL386511SCHEMBL701763SCHEMBL931351SCHEMBL3854073CHEMBL3181969SCHEMBL18632163UVKXJAUUKPDDNW-UHFFFAOYSA-NCID 20750AKOS028108399NS00077449
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