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Chemical ID: 5176933
Chemical ID:
5176933
Name [?]:
None
SMILES [?]:
CN(C)C(=O)CN1c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C15H14N2O2/c1-16(2)13(18)9-17-12-8-4-6-10-5-3-7-11(14(10)12)15(17)19/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,10,17,11,15,9,6,12,14,8,4,13,18,2,7,5,19/E:(1,2)/rA:19nCNCCOCNCCCCCCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s7s14;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53712 |
Area: | 428.622 |
Solvation: | -3.17843 |
Coulombic: | -33.4987 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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