Chemical ID: 5035205

c1ccc-2c(c1)-c3cccc4c3c2cnc4
Chemical ID:
5035205
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3cccc4c3c2cnc4
InChi [?]:
InChI=1/C15H9N/c1-2-6-12-11(5-1)13-7-3-4-10-8-16-9-14(12)15(10)13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,9,10,6,3,8,16,14,11,5,4,7,13,12,15/rA:16nCCCCCCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.62084
Area:359.919
Solvation:-1.37714
Coulombic:-7.16996
Bond Count [?]
All:19
Single:11
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:203.239
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.89
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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