Chemical ID: 6376432

c1ccc(cc1)CNC(=O)c2ccc3c(c2)OCO3
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

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Descriptor Annotations

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