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Chemical ID: 5821999
Chemical ID:
5821999
Name [?]:
3,5-dimethoxy-N-(1-naphthyl)benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C19H17NO3/c1-22-15-10-14(11-16(12-15)23-2)19(21)20-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,16,23,17,20,15,4,6,8,18,5,3,7,19,14,11,13,12,2,9/E:(1,2)(10,11)(15,16)(22,23)/rA:23nCOCCCCCCOCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11567 |
Area: | 506.59 |
Solvation: | -4.54908 |
Coulombic: | -36.6831 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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