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Chemical ID: 5133112
Chemical ID:
5133112
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)C34CCN5C3CC(C5=O)c6c4n2c(=O)cc6
InChi [?]:
InChI=1/C18H14N2O2/c21-15-6-5-10-11-9-14-18(7-8-19(14)17(11)22)12-3-1-2-4-13(12)20(15)16(10)18/h1-6,11,14H,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,21,8,9,12,16,13,5,4,11,19,17,14,7,10,18,20,15/rA:22cCCCCCCCCCNCCCCOCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7s10;s11;s12;s10s13;d14;s13;s7d16;s4s17;s18;d19;s19;s16d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.34719 |
Area: | 424.048 |
Solvation: | -3.25401 |
Coulombic: | -31.8895 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 290.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.61 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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