Chemical ID: 4088512

C[NH2+]CCCN1c2ccccc2CCc3c1cccc3
Chemical ID:
4088512
Name [?]:
None
SMILES [?]:
C[NH2+]CCCN1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,19,9,18,4,11,20,8,17,13,14,3,5,12,15,7,16,2,6/E:(2,3)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18)/rA:20nCN+CCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s6s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-24.0115
Area:469.232
Solvation:-35.7423
Coulombic:27.2266
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.389
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.79
LogP (Chemaxon):3.64

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Descriptor Annotations

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