Chemical ID: 4679520

c1ccc(cc1)C2CCCn3c2cc4c3cccc4
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

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Descriptor Annotations

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