Chemical ID: 4123423

c1ccc2c(c1)[nH]c(n2)c3cc(ccc3Cl)N
Chemical ID:
4123423
Name [?]:
3-(1H-benzoimidazol-2-yl)-4-chloro-aniline
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)c3cc(ccc3Cl)N
InChi [?]:
InChI=1/C13H10ClN3/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,14,11,12,10,15,5,4,8,16,17,7,9/E:(1,2)(3,4)(11,12)(16,17)/rA:17nCCCCCCNCNCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClN3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.52209
Area:408.033
Solvation:-1.67873
Coulombic:-34.7634
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.691
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.08
LogP (Chemaxon):3.57

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Descriptor Annotations

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