Chemical ID: 4921791

c1cc(ccc1C(=O)NN)N(CCC#N)CCC#N
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

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Descriptor Annotations

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