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Chemical ID: 4240248
Chemical ID:
4240248
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N3CC(=O)N4CCCCC4
InChi [?]:
InChI=1/C18H18N2O2/c21-16(19-10-2-1-3-11-19)12-20-15-9-5-7-13-6-4-8-14(17(13)15)18(20)22/h4-9H,1-3,10-12H2
InChi Info:
AuxInfo=1/0/N:20,19,21,1,5,2,4,10,6,18,22,14,3,9,7,15,8,11,17,13,16,12/E:(2,3)(10,11)/rA:22nCCCCCCCCCCCONCCONCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s7s11;s13;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79121 |
Area: | 475.509 |
Solvation: | -3.09651 |
Coulombic: | -33.9116 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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