Chemical ID: 4118479

c1cc2cc3c(nc2nc1)CCNC3
Chemical ID:
4118479
Name [?]:
None
SMILES [?]:
c1cc2cc3c(nc2nc1)CCNC3
InChi [?]:
InChI=1/C11H11N3/c1-2-8-6-9-7-12-5-3-10(9)14-11(8)13-4-1/h1-2,4,6,12H,3,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,4,14,3,5,6,8,13,9,7/rA:14nCCCCCCNCNCCCNC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s6;s11;s12;s5s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.34122
Area:337.748
Solvation:-2.10247
Coulombic:-19.0674
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.225
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.53
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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