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Chemical ID: 4506987
Chemical ID:
4506987
Name [?]:
2-aminophenanthrene-9,10-dione
SMILES [?]:
c1ccc2c(c1)-c3ccc(cc3C(=O)C2=O)N
InChi [?]:
InChI=1/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,8,11,10,5,7,4,12,15,13,17,16,14/rA:17nCCCCCCCCCCCCCOCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s4s13;d15;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05229 |
Area: | 383.398 |
Solvation: | -2.53267 |
Coulombic: | -35.566 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 223.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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