Chemical ID: 4680693

Cc1c[n+](c2ccccc2c1c3ccccc3)C
Chemical ID:
4680693
Name [?]:
1,3-dimethyl-4-phenyl-quinoline
SMILES [?]:
Cc1c[n+](c2ccccc2c1c3ccccc3)C
InChi [?]:
InChI=1/C17H16N/c1-13-12-18(2)16-11-7-6-10-15(16)17(13)14-8-4-3-5-9-14/h3-12H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,8,7,13,17,9,6,3,2,12,10,5,11,4/E:(4,5)(8,9)/CRV:18+1/rA:18nCCCN+CCCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-16.9329
Area:410.237
Solvation:-27.1888
Coulombic:16.0982
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:234.316
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.26
LogP (Chemaxon):0.67

Name Annotations

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Descriptor Annotations

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