Chemical ID: 4560320

COc1ccc(cc1COc2ccccc2F)C3c4c(c5ccccc5[nH]4)CCN3
Chemical ID:
4560320
Name [?]:
None
SMILES [?]:
COc1ccc(cc1COc2ccccc2F)C3c4c(c5ccccc5[nH]4)CCN3
InChi [?]:
InChI=1/C25H23FN2O2/c1-29-22-11-10-16(14-17(22)15-30-23-9-5-3-7-20(23)26)24-25-19(12-13-27-24)18-6-2-4-8-21(18)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,14,24,13,22,15,25,12,5,4,28,29,7,9,6,8,21,20,16,26,3,11,18,19,17,30,27,2,10/rA:30cCOCCCCCCCOCCCCCCFCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s6;s18;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s20;s28;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23FN2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.6283
Area:614.734
Solvation:-4.74003
Coulombic:-42.0035
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):4.98

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Experimental Annotations

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Descriptor Annotations

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