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Chemical ID: 5175652
Chemical ID:
5175652
Name [?]:
None
SMILES [?]:
CNC(=O)CN1c2cccc3c2c(ccc3)C1=O
InChi [?]:
InChI=1/C14H12N2O2/c1-15-12(17)8-16-11-7-3-5-9-4-2-6-10(13(9)11)14(16)18/h2-7H,8H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,9,16,10,14,8,5,11,13,7,3,12,17,2,6,4,18/rA:18nCNCOCNCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s6s13;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08617 |
Area: | 407.526 |
Solvation: | -3.10196 |
Coulombic: | -38.099 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.55 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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