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Chemical ID: 5493391
Chemical ID:
5493391
Name [?]:
1-naphthylcarbamoylmethyl 4-phenylbenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)OCC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C25H19NO3/c27-24(26-23-12-6-10-20-9-4-5-11-22(20)23)17-29-25(28)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,22,3,5,29,23,26,21,8,12,9,11,16,4,7,24,10,25,20,17,13,19,18,14,15/E:(2,3)(7,8)(13,14)(15,16)/rA:29nCCCCCCCCCCCCCOOCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9477 |
Area: | 623.798 |
Solvation: | -3.64722 |
Coulombic: | -44.7739 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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