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Chemical ID: 7007100
Chemical ID:
7007100
Name [?]:
4-ethoxynaphthalene-1-carbohydrazide
SMILES [?]:
CCOc1ccc(c2c1cccc2)C(=O)NN
InChi [?]:
InChI=1/C13H14N2O2/c1-2-17-12-8-7-11(13(16)15-14)9-5-3-4-6-10(9)12/h3-8H,2,14H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,6,5,8,9,7,4,14,17,16,15,3/rA:17nCCOCCCCCCCCCCCONN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74359 |
Area: | 409.277 |
Solvation: | -3.48835 |
Coulombic: | -36.5601 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.263 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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