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Chemical ID: 6376389
Chemical ID:
6376389
Name [?]:
methyl 2-(1-naphthylcarbonylamino)benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C19H15NO3/c1-23-19(22)16-10-4-5-12-17(16)20-18(21)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,7,8,16,23,17,20,6,15,9,18,19,14,5,10,12,3,11,13,4,2/rA:23nCOCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0783 |
Area: | 494.669 |
Solvation: | -2.28848 |
Coulombic: | -44.4395 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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