Chemical ID: 6794691

CCCn1c(=O)c2c([nH+]c3n2CCN3c4ccc(cc4)CC)n(c1=O)C
Chemical ID:
6794691
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c([nH+]c3n2CCN3c4ccc(cc4)CC)n(c1=O)C
InChi [?]:
InChI=1/C19H23N5O2/c1-4-10-24-17(25)15-16(21(3)19(24)26)20-18-22(11-12-23(15)18)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,22,26,2,21,17,19,16,20,3,13,12,18,15,7,8,5,10,24,9,23,14,11,4,6,25/E:(6,7)(8,9)/rA:26nCCCNCOCCN+CNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N5O2+
All Atoms:50
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-18.7424
Area:557.922
Solvation:-32.6905
Coulombic:-42.9727
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.426
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.81
LogP (Chemaxon):4.32

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Experimental Annotations

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Descriptor Annotations

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