Chemical ID: 5696075

C[NH+](C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
Chemical ID:
5696075
Name [?]:
None
SMILES [?]:
C[NH+](C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
InChi [?]:
InChI=1/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,11,10,5,12,9,14,15,21,20,4,6,18,13,16,19,8,17,22,2,7/E:(1,2)/rA:22nCN+CCCCNCCCCCCCCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN2+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-19.5931
Area:520.347
Solvation:-32.6018
Coulombic:21.4467
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.86
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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