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Chemical ID: 4687445
Chemical ID:
4687445
Name [?]:
N-(5-isoquinolyl)acetamide
SMILES [?]:
CC(=O)Nc1cccc2c1ccnc2
InChi [?]:
InChI=1/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,11,12,14,2,9,10,5,13,4,3/rA:14nCCONCCCCCCCCNC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s12;s9d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08066 |
Area: | 346.984 |
Solvation: | -2.59394 |
Coulombic: | -23.8572 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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