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Chemical ID: 6168683
Chemical ID:
6168683
Name [?]:
None
SMILES [?]:
CCCCNC(=O)c1cc2c3ccccc3ccc2o1
InChi [?]:
InChI=1/C17H17NO2/c1-2-3-10-18-17(19)16-11-14-13-7-5-4-6-12(13)8-9-15(14)20-16/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,13,15,12,17,18,4,9,16,11,10,19,8,6,5,7,20/rA:20nCCCCNCOCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1918 |
Area: | 482.792 |
Solvation: | -1.87801 |
Coulombic: | -33.5147 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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