Chemical ID: 4559873

COc1ccc2c(c1)c3c([nH]2)c(ncn3)N4CCCC4
Chemical ID:
4559873
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)c(ncn3)N4CCCC4
InChi [?]:
InChI=1/C15H16N4O/c1-20-10-4-5-12-11(8-10)13-14(18-12)15(17-9-16-13)19-6-2-3-7-19/h4-5,8-9,18H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,4,5,17,20,8,14,3,7,6,9,10,12,15,13,11,16,2/E:(2,3)(6,7)/rA:20nCOCCCCCCCCNCNCNNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6s10;d10;s12;d13;d9s14;s12;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.20663
Area:444.755
Solvation:-2.91225
Coulombic:-36.4011
Bond Count [?]
All:23
Single:17
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.314
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.68
LogP (Chemaxon):3.14

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Experimental Annotations

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Descriptor Annotations

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