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Chemical ID: 7439666
Chemical ID:
7439666
Name [?]:
N-(4-methylcyclohexyl)-9-oxo-fluorene-4-carboxamide
SMILES [?]:
CC1CCC(CC1)NC(=O)c2cccc3c2-c4ccccc4C3=O
InChi [?]:
InChI=1/C21H21NO2/c1-13-9-11-14(12-10-13)22-21(24)18-8-4-7-17-19(18)15-5-2-3-6-16(15)20(17)23/h2-8,13-14H,9-12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,20,13,18,21,14,12,3,7,4,6,2,5,17,22,15,11,16,23,9,8,24,10/E:(9,10)(11,12)/rA:24nCCCCCCCNCOCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;d17s21;s15s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7264 |
Area: | 516.815 |
Solvation: | -2.19393 |
Coulombic: | -33.5472 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.23 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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