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Chemical ID: 5037261
Chemical ID:
5037261
Name [?]:
4,5-dimethylacridine
SMILES [?]:
Cc1cccc2c1nc3c(cccc3c2)C
InChi [?]:
InChI=1/C15H13N/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,12,3,11,5,13,15,2,10,6,14,7,9,8/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:16nCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s11;d12;s9s13;s6d14;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1531 |
Area: | 372.554 |
Solvation: | -1.16075 |
Coulombic: | -7.999 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 207.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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