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Chemical ID: 4560999
Chemical ID:
4560999
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3NC(=O)c4ccccc4N3C2=O
InChi [?]:
InChI=1/C15H10N2O2/c18-14-11-7-3-4-8-12(11)17-13(16-14)9-5-1-2-6-10(9)15(17)19/h1-8,13H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,6,3,12,15,5,4,11,16,7,9,18,8,17,10,19/rA:19cCCCCCCCNCOCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s4s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.73216 |
Area: | 402.601 |
Solvation: | -2.33287 |
Coulombic: | -40.3263 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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