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Chemical ID: 4388770
Chemical ID:
4388770
Name [?]:
N-(hydrazono-phenyl-methyl)-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NC(=NN)c2ccccc2
InChi [?]:
InChI=1/C14H15N3O/c1-18-13-9-7-12(8-10-13)16-14(17-15)11-5-3-2-4-6-11/h2-10H,15H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,7,4,8,13,6,3,10,12,9,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCOCCCCCCNCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;w10;s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63565 |
Area: | 426.473 |
Solvation: | -3.02617 |
Coulombic: | -35.9058 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.289 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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