Chemical ID: 6496586

C[NH+]1C=CC2c3ccccc3C(C2=C1)c4ccccc4
Chemical ID:
6496586
Name [?]:
None
SMILES [?]:
C[NH+]1C=CC2c3ccccc3C(C2=C1)c4ccccc4
InChi [?]:
InChI=1/C19H17N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-13,16,19H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,17,19,8,9,16,20,7,10,4,3,14,15,6,5,11,13,12,2/E:(3,4)(7,8)/rA:20cCN+CCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s2d13;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:-20.2575
Area:441.559
Solvation:-31.2965
Coulombic:24.8857
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:260.353
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.29
LogP (Chemaxon):3.96

Name Annotations

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Descriptor Annotations

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