Chemical ID: 6379022

CCCNC(=O)c1ccc2c(c1)OCO2
Chemical ID:
6379022
Name [?]:
N-propylbenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCCNC(=O)c1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H13NO3/c1-2-5-12-11(13)8-3-4-9-10(6-8)15-7-14-9/h3-4,6H,2,5,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,3,12,14,7,10,11,5,4,6,15,13/rA:15nCCCNCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.76086
Area:393.034
Solvation:-3.06499
Coulombic:-38.1384
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.226
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):1.44

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