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Chemical ID: 4310042
Chemical ID:
4310042
Name [?]:
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
SMILES [?]:
c1ccc2c(c1)c3c(n2C(=O)c4ccccc4F)CCCC3
InChi [?]:
InChI=1/C19H16FNO/c20-16-10-4-1-9-15(16)19(22)21-17-11-5-2-7-13(17)14-8-3-6-12-18(14)21/h1-2,4-5,7,9-11H,3,6,8,12H2
InChi Info:
AuxInfo=1/0/N:14,1,21,15,2,20,6,22,13,16,3,19,5,7,12,17,4,8,10,18,9,11/rA:22nCCCCCCCCNCOCCCCCCFCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s8;s19;s20;s7s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FNO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44238 |
Area: | 460.873 |
Solvation: | -3.07944 |
Coulombic: | -21.6004 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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