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Chemical ID: 4623737
Chemical ID:
4623737
Name [?]:
None
SMILES [?]:
CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC
InChi [?]:
InChI=1/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,13,12,14,8,7,4,21,11,15,9,6,10,16,19,5,18,17,20/rA:24nCCCCNCCCCCCCCCCCONCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;s15;d16;s16;s9s18;d19;s18;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7501 |
Area: | 549.975 |
Solvation: | -1.99928 |
Coulombic: | -40.8792 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.75 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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