Chemical ID: 4691617

c1ccc(cc1)CC[NH+]2CCC3=C(C2)CCc4c3cccc4
Chemical ID:
4691617
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC[NH+]2CCC3=C(C2)CCc4c3cccc4
InChi [?]:
InChI=1/C21H23N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9H,10-16H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,3,5,22,19,16,15,7,11,8,10,14,4,17,13,18,12,9/E:(2,3)(6,7)/rA:22cCCCCCCCCN+CCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s9s13;s13;s15;s16;s12s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-17.7827
Area:498.389
Solvation:-30.2425
Coulombic:25.6932
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.422
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.74
LogP (Chemaxon):4.28

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