InChIKey | GTBQJJOECXRNIO-UHFFFAOYSA-N |
---|---|
Inchi | InChI=1S/C11H11ClN2/c1-11(3-4-11)9-6-7-8(12)2-5-13-10(7)14-9/h2,5-6H,3-4H2,1H3,(H,13,14) |
SMILES | CC1(CC1)C2=CC3=C(C=CN=C3N2)Cl |
氢键供体数量 | 1 |
---|---|
氢键受体数量 | 2 |
可旋转化学键数量 | 1 |
重原子数量 | 14 |
SMILES:ClC1=C2C(=NC=C1)NC(=C2)C3(C)CC3
ExSMILES:206.06123
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC11H11N2Cl