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Chemical ID: 4679520
Chemical ID:
4679520
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2CCCn3c2cc4c3cccc4
InChi [?]:
InChI=1/C18H17N/c1-2-7-14(8-3-1)16-10-6-12-19-17-11-5-4-9-15(17)13-18(16)19/h1-5,7-9,11,13,16H,6,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,17,9,3,5,19,8,16,10,13,4,14,7,15,12,11/E:(2,3)(7,8)/rA:19cCCCCCCCCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;d12;s13;s11s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.24751 |
Area: | 424.372 |
Solvation: | -1.36178 |
Coulombic: | -9.01686 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 247.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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