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Chemical ID: 7331126
Chemical ID:
7331126
Name [?]:
(4-acetylphenyl)carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H17NO4/c1-14(23)15-9-11-17(12-10-15)22-20(24)13-26-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,19,26,20,23,18,5,9,6,8,13,2,4,21,7,22,17,11,15,10,3,12,16,14/E:(9,10)(11,12)/rA:26nCCOCCCCCCNCOCOCOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO4 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95641 |
Area: | 569.986 |
Solvation: | -4.29325 |
Coulombic: | -49.7593 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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