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Chemical ID: 6683895
Chemical ID:
6683895
Name [?]:
2-dimethylaminofluoren-9-one
SMILES [?]:
CN(C)c1ccc-2c(c1)C(=O)c3c2cccc3
InChi [?]:
InChI=1/C15H13NO/c1-16(2)10-7-8-12-11-5-3-4-6-13(11)15(17)14(12)9-10/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,16,14,17,5,6,9,4,13,7,12,8,10,2,11/E:(1,2)/rA:17nCNCCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s7s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15063 |
Area: | 403.378 |
Solvation: | -1.93381 |
Coulombic: | -16.6925 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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