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Chemical ID: 4566368
Chemical ID:
4566368
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NC(C3)C(=O)O
InChi [?]:
InChI=1/C17H20N2O2/c20-16(21)14-10-12-11-6-2-3-7-13(11)18-15(12)17(19-14)8-4-1-5-9-17/h2-3,6-7,14,18-19H,1,4-5,8-10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:13,1,2,12,14,6,3,11,15,18,5,7,4,17,8,19,10,9,16,20,21/E:(4,5)(8,9)(20,21)/rA:21cCCCCCCCCNCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s10;s16;s7s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.9326 |
Area: | 452.808 |
Solvation: | -2.38759 |
Coulombic: | -47.8885 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.53 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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