COC1=C(C2=C(C=C1)C(=CC(=O)O2)N)OC3CCCC3
CAS: 1001056-81-0
名称: 4-amino-8-cyclopentyloxy-7-methoxychromen-2-one
SMILES: COC1=C(C2=C(C=C1)C(=CC(=O)O2)N)OC3CCCC3

Molecular Processing

Molecular formula
C15H17NO4
Molecular weight
275.3
Exact mass
275.1158
XLogP
2.71
TPSA
74.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
76.33

Supplementary Information

InChIKey: ACSQVIZWCBDPOH-UHFFFAOYSA-N
同義語
1001056-81-0SCHEMBL36755524-amino-8-(cyclopentyloxy)-7-methoxy-2H-chromen-2-oneACSQVIZWCBDPOH-UHFFFAOYSA-NDB-058291
出典を見る →
9 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→