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Chemical ID: 5516507
Chemical ID:
5516507
Name [?]:
None
SMILES [?]:
Cc1c2ccc3ccccc3c2oc1C(=O)Nc4ccc(cc4F)Cl
InChi [?]:
InChI=1/C20H13ClFNO2/c1-11-14-8-6-12-4-2-3-5-15(12)19(14)25-18(11)20(24)23-17-9-7-13(21)10-16(17)22/h2-10H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,5,20,4,19,22,2,6,21,3,11,23,18,14,12,15,25,24,17,16,13/rA:25nCCCCCCCCCCCCOCCONCCCCCCFCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d2s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13ClFNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9565 |
Area: | 533.374 |
Solvation: | -2.37787 |
Coulombic: | -37.6005 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 353.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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