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Chemical ID: 7663004
Chemical ID:
7663004
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CNc2ccc3c(c2)cn[nH]3)O
InChi [?]:
InChI=1/C14H13N3O/c18-14-4-2-1-3-10(14)8-15-12-5-6-13-11(7-12)9-16-17-13/h1-7,9,15,18H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,11,14,7,15,5,13,9,12,4,8,16,17,18/rA:18nCCCCCCCNCCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3O |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.64693 |
Area: | 426.868 |
Solvation: | -3.02477 |
Coulombic: | -37.7657 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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