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Chemical ID: 5106394
Chemical ID:
5106394
Name [?]:
N-methylnaphthalene-2-carboxamide
SMILES [?]:
CNC(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C12H11NO/c1-13-12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,7,6,14,8,13,5,3,2,4/rA:14nCNCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27723 |
Area: | 358.819 |
Solvation: | -1.69323 |
Coulombic: | -23.7839 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.222 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.69 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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