Chemical ID: 7686580

COc1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc(c(c3)F)F
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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