Chemical ID: 5527822

c1ccc(cc1)NN=Cc2cc3ccccc3nc2Cl
Chemical ID:
5527822
Name [?]:
N-[(2-chloro-3-quinolyl)methyleneamino]aniline
SMILES [?]:
c1ccc(cc1)NN=Cc2cc3ccccc3nc2Cl
InChi [?]:
InChI=1/C16H12ClN3/c17-16-13(10-12-6-4-5-9-15(12)19-16)11-18-20-14-7-2-1-3-8-14/h1-11,20H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,13,3,5,16,11,9,12,10,4,17,19,20,8,18,7/E:(2,3)(7,8)/rA:20nCCCCCCNNCCCCCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;s10;d11;s12;d13;s14;d15;s12s16;d17;d10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.85618
Area:469.245
Solvation:-1.87496
Coulombic:-18.39
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:281.739
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.15
LogP (Chemaxon):4.78

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