Chemical ID: 6376389

COC(=O)c1ccccc1NC(=O)c2cccc3c2cccc3
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

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Descriptor Annotations

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