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Chemical ID: 4118479
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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