Chemical ID: 4714602

c1ccc2c(c1)nc(c3n2ccc3)n4cccc4
Chemical ID:
4714602
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(c3n2ccc3)n4cccc4
InChi [?]:
InChI=1/C15H11N3/c1-2-7-13-12(6-1)16-15(17-9-3-4-10-17)14-8-5-11-18(13)14/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,16,17,12,6,3,13,15,18,11,5,4,9,8,7,14,10/E:(3,4)(9,10)/rA:18nCCCCCCNCCNCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;d9s12;s8;s14;d15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.94971
Area:398.022
Solvation:-2.00085
Coulombic:-18.5701
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:233.268
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.03
LogP (Chemaxon):4.07

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Descriptor Annotations

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