이름: 4-nitro-N-(2-thiophen-2-ylethyl)aniline
SMILES:
C1=CSC(=C1)CCNC2=CC=C(C=C2)[N+](=O)[O-]Molecular Processing
Molecular formula
C12H12N2O2S
Molecular weight
248.31
Exact mass
248.0619
XLogP
3.31
TPSA
55.17
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
69.61
Supplementary Information
InChIKey: QXQFGEVSIBTQHP-UHFFFAOYSA-N
동의어
SCHEMBL4846530QXQFGEVSIBTQHP-UHFFFAOYSA-NAKOS008924040N-(4-nitrophenyl)-N-(2-thien-2-ylethyl)amine
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