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Chemical ID: 4571255
Chemical ID:
4571255
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccc(c4)F
InChi [?]:
InChI=1/C19H17FN2O2/c1-24-19(23)16-10-14-13-7-2-3-8-15(13)21-18(14)17(22-16)11-5-4-6-12(20)9-11/h2-9,16-17,21-22H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,20,19,21,9,12,23,6,18,22,8,7,13,5,16,15,3,24,14,17,4,2/rA:24cCOCOCCCCCCCCCNCCNCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.93946 |
Area: | 506.92 |
Solvation: | -3.73354 |
Coulombic: | -44.0659 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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