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Chemical ID: 6741107
Chemical ID:
6741107
Name [?]:
3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILES [?]:
CC1c2cc(c(cc2CC[NH+]1CCC(=O)N)OC)OC
InChi [?]:
InChI=1/C15H22N2O3/c1-10-12-9-14(20-3)13(19-2)8-11(12)4-6-17(10)7-5-15(16)18/h8-10H,4-7H2,1-3H3,(H2,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,18,20,9,13,10,12,7,4,2,8,3,6,5,14,16,11,15,17,19/rA:20cCCCCCCCCCCN+CCCONOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s12;s13;d14;s14;s6;s17;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N2O3+ |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -25.2921 |
Area: | 472.499 |
Solvation: | -37.1046 |
Coulombic: | -3.56274 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.355 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.52 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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