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Chemical ID: 4533766
Chemical ID:
4533766
Name [?]:
N-(9H-fluoren-2-yl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc-2c(c1)Cc3c2cccc3
InChi [?]:
InChI=1/C17H17NO/c1-11(2)17(19)18-14-7-8-16-13(10-14)9-12-5-3-4-6-15(12)16/h3-8,10-11H,9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,8,9,13,12,2,14,11,7,15,10,4,6,5/E:(1,2)/rA:19nCCCCONCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15265 |
Area: | 446.846 |
Solvation: | -2.01849 |
Coulombic: | -22.0245 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.71 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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