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Chemical ID: 4147236
Chemical ID:
4147236
Name [?]:
N-benzyl-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C17H13NO3/c19-16(18-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)20/h1-10H,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,12,7,4,13,11,18,9,20,8,10,21,19/E:(2,3)(6,7)/rA:21nCCCCCCCNCOCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27933 |
Area: | 475.755 |
Solvation: | -3.61454 |
Coulombic: | -41.7018 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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