Chemical ID: 6833966

c1ccc2c(c1)c3ccccc3n2CC(C[NH2+]C4CCCCC4)O
Chemical ID:
6833966
Name [?]:
(3-carbazol-9-yl-2-hydroxy-propyl)-cyclohexyl-ammonium
SMILES [?]:
c1ccc2c(c1)c3ccccc3n2CC(C[NH2+]C4CCCCC4)O
InChi [?]:
InChI=1/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2/p+1
InChi Info:
AuxInfo=1/1/N:21,20,22,1,9,2,10,19,23,6,8,3,11,16,14,18,15,5,7,4,12,17,13,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(20,21)/rA:24cCCCCCCCCCCCCNCCCN+CCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N2O+
All Atoms:51
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-21.5636
Area:539.646
Solvation:-35.0547
Coulombic:10.067
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.452
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:4.6
LogP (Chemaxon):4.92

Name Annotations

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Descriptor Annotations

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