Chemical ID: 5573692

CC1=NC2=CC(=NC3=CC(=NC(=C1)C32)C)C
Chemical ID:
5573692
Name [?]:
None
SMILES [?]:
CC1=NC2=CC(=NC3=CC(=NC(=C1)C32)C)C
InChi [?]:
InChI=1/C13H13N3/c1-7-4-10-13-11(14-7)5-8(2)16-12(13)6-9(3)15-10/h4-6,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,13,5,9,2,6,10,12,4,8,14,3,11,7/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(14,15,16)/rA:16nCCNCCCNCCCNCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s9;d10;s11;s2d12;s4s8s12;s10;s6;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.50609
Area:373.59
Solvation:-1.83365
Coulombic:-13.032
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.263
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.16
LogP (Chemaxon):0.44

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Descriptor Annotations

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