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Chemical ID: 5564783
Chemical ID:
5564783
Name [?]:
N-(9H-fluoren-2-yl)propanamide
SMILES [?]:
CCC(=O)Nc1ccc-2c(c1)Cc3c2cccc3
InChi [?]:
InChI=1/C16H15NO/c1-2-16(18)17-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,7,8,12,11,13,10,6,14,9,3,5,4/rA:18nCCCONCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;s9s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55518 |
Area: | 426.535 |
Solvation: | -2.1082 |
Coulombic: | -21.3492 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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