Chemical ID: 6759817

CCCCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)F
Chemical ID:
6759817
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)F
InChi [?]:
InChI=1/C26H25FN2O2/c1-2-3-16-30-21-14-10-18(11-15-21)23-17-24-22-6-4-5-7-25(22)31-26(29(24)28-23)19-8-12-20(27)13-9-19/h4-15,17,24,26,28H,2-3,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,18,16,19,26,30,8,10,27,29,7,11,4,13,9,25,28,6,15,12,14,20,22,31,24,23,5,21/E:(8,9)(10,11)(12,13)(14,15)/rA:31cCCCCOCCCCCCCCCCCCCCCOCNNCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;s12s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25FN2O2
All Atoms:56
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:11.437
Area:648.314
Solvation:-4.77083
Coulombic:-34.6811
Bond Count [?]
All:35
Single:25
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.487
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.83
LogP (Chemaxon):5.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue