Chemical ID: 5699260

CC(C)Oc1ccc(cc1OC)C2c3c(c4cc(ccc4[nH]3)OC)CC[NH2+]2
Chemical ID:
5699260
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C2c3c(c4cc(ccc4[nH]3)OC)CC[NH2+]2
InChi [?]:
InChI=1/C22H26N2O3/c1-13(2)27-19-8-5-14(11-20(19)26-4)21-22-16(9-10-23-21)17-12-15(25-3)6-7-18(17)24-22/h5-8,11-13,21,23-24H,9-10H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,24,12,7,19,20,6,25,26,9,17,2,8,18,15,16,21,5,10,13,14,27,22,23,11,4/E:(1,2)/rA:27cCCCOCCCCCCOCCCCCCCCCCNOCCCN+/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s18;s23;s15;s25;s13s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N2O3+
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:-27.0102
Area:579.499
Solvation:-41.4976
Coulombic:7.64651
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.461
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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