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Chemical ID: 6552431
Chemical ID:
6552431
Name [?]:
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)CC(=O)N
InChi [?]:
InChI=1/C13H18N2O3/c1-17-11-5-9-3-4-15(8-13(14)16)7-10(9)6-12(11)18-2/h5-6H,3-4,7-8H2,1-2H3,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,10,14,13,4,7,11,15,5,6,3,8,16,18,12,17,2,9/rA:18cCOCCCCCCOCCNCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.50679 |
Area: | 432.086 |
Solvation: | -6.29536 |
Coulombic: | -42.7392 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.16 |
LogP (Chemaxon): | 0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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