Chemical ID: 7549875

C[NH2+]CCC=C1c2ccccc2CCc3c1cccc3
Chemical ID:
7549875
Name [?]:
None
SMILES [?]:
C[NH2+]CCC=C1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,19,9,18,4,11,20,8,17,5,13,14,3,12,15,7,16,6,2/E:(2,3)(4,5)(7,8)(9,10)(12,13)(15,16)(17,18)/rA:20nCN+CCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s6s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N+
All Atoms:42
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:-23.9582
Area:465.545
Solvation:-35.5968
Coulombic:31.482
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.69
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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