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Chemical ID: 7686580
Chemical ID:
7686580
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C18H16F2N2O2/c1-24-13-3-5-17-14(9-13)12(10-22-17)6-7-21-18(23)11-2-4-15(19)16(20)8-11/h2-5,8-10,22H,6-7H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,4,19,5,12,13,22,8,10,17,9,3,7,20,21,6,15,24,23,14,11,16,2/rA:24nCOCCCCCCCCNCCNCOCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s9;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16F2N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.74746 |
Area: | 531.758 |
Solvation: | -5.5465 |
Coulombic: | -46.5031 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.6 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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