Chemical ID: 5678276

Cc1ccc2c(c1)c3c4n2CC[NH+](C4CCC3)CC(C[NH2+]CCC[NH+](C)C)O
Chemical ID:
5678276
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CC[NH+](C4CCC3)CC(C[NH2+]CCC[NH+](C)C)O
InChi [?]:
InChI=1/C23H36N4O/c1-17-8-9-21-20(14-17)19-6-4-7-22-23(19)27(21)13-12-26(22)16-18(28)15-24-10-5-11-25(2)3/h8-9,14,18,22,24,28H,4-7,10-13,15-16H2,1-3H3/p+3
InChi Info:
AuxInfo=1/1/N:1,26,27,16,23,17,15,3,4,22,24,12,11,7,20,18,2,19,8,6,5,14,9,21,25,13,10,28/E:(2,3)/rA:28cCCCCCCCCCNCCN+CCCCCCCN+CCCN+CCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;s13;s18;s19;s20;s21;s22;s23;s24;s25;s25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H39N4O+3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:-160.792
Area:634.695
Solvation:-176.66
Coulombic:157.699
Bond Count [?]
All:31
Single:27
Double:4
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.582
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:2.2
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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