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Chemical ID: 5084435
Chemical ID:
5084435
Name [?]:
None
SMILES [?]:
c1cc2c(ccc3c2c(c1)C(=O)N(C3=O)CCO)N4CCCC4
InChi [?]:
InChI=1/C18H18N2O3/c21-11-10-20-17(22)13-5-3-4-12-15(19-8-1-2-9-19)7-6-14(16(12)13)18(20)23/h3-7,21H,1-2,8-11H2
InChi Info:
AuxInfo=1/0/N:21,22,1,2,10,6,5,20,23,16,17,3,9,7,4,8,11,14,19,13,18,12,15/E:(1,2)(8,9)/rA:23nCCCCCCCCCCCONCOCCONCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s4;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20277 |
Area: | 474.319 |
Solvation: | -3.65521 |
Coulombic: | -49.5369 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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