Chemical ID: 4634089

c1ccc-2c(c1)CCc3c2[nH]c4c3cccc4
Chemical ID:
4634089
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]c4c3cccc4
InChi [?]:
InChI=1/C16H13N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,17H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,6,3,14,17,7,8,5,4,13,9,12,10,11/rA:17nCCCCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;s9s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.43326
Area:384.5
Solvation:-1.17925
Coulombic:-13.6973
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:219.281
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.16
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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