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Chemical ID: 6376432
Chemical ID:
6376432
Name [?]:
N-benzylbenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C15H13NO3/c17-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)19-10-18-13/h1-8H,9-10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,16,7,18,4,11,14,15,9,8,10,19,17/E:(2,3)(4,5)/rA:19nCCCCCCCNCOCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96335 |
Area: | 449.745 |
Solvation: | -3.28027 |
Coulombic: | -39.5675 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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