Chemical ID: 6398454

CCCC(=O)Nc1ccc2c(c1)OCO2
Chemical ID:
6398454
Name [?]:
N-benzo[1,3]dioxol-5-ylbutanamide
SMILES [?]:
CCCC(=O)Nc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H13NO3/c1-2-3-11(13)12-8-4-5-9-10(6-8)15-7-14-9/h4-6H,2-3,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,9,12,14,7,10,11,4,6,5,15,13/rA:15nCCCCONCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;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:6.26556
Area:384.792
Solvation:-3.35422
Coulombic:-35.754
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.226
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.86
LogP (Chemaxon):2.08

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Descriptor Annotations

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