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Chemical ID: 6379022
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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