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Chemical ID: 4921791
Chemical ID:
4921791
Name [?]:
4-[bis(2-cyanoethyl)amino]benzohydrazide
SMILES [?]:
c1cc(ccc1C(=O)NN)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C13H15N5O/c14-7-1-9-18(10-2-8-15)12-5-3-11(4-6-12)13(19)17-16/h3-6H,1-2,9-10,16H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:13,17,1,5,2,4,14,18,12,16,6,3,7,15,19,10,9,11,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)/rA:19nCCCCCCCONNNCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s3;s11;s12;s13;t14;s11;s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N5O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18841 |
Area: | 498.036 |
Solvation: | -4.2625 |
Coulombic: | -38.2712 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 257.291 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.06 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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