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Chemical ID: 4822349
Chemical ID:
4822349
Name [?]:
None
SMILES [?]:
Cc1c(c(c2c(n1)-c3ccccc3C2=O)c4ccccc4)C(=O)C
InChi [?]:
InChI=1/C21H15NO2/c1-12-17(13(2)23)18(14-8-4-3-5-9-14)19-20(22-12)15-10-6-7-11-16(15)21(19)24/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,10,11,17,21,9,12,2,22,16,8,13,3,4,5,6,14,7,23,15/E:(4,5)(8,9)/rA:24nCCCCCCNCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s5s13;d14;s4;s16;d17;s18;d19;d16s20;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15828 |
Area: | 488.156 |
Solvation: | -3.04564 |
Coulombic: | -22.5683 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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