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Chemical ID: 4185588
Chemical ID:
4185588
Name [?]:
1-[(2-chlorophenyl)methyl]benzoimidazol-2-amine
SMILES [?]:
c1ccc(c(c1)Cn2c3ccccc3nc2N)Cl
InChi [?]:
InChI=1/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,6,3,13,10,7,5,4,14,9,16,18,17,15,8/rA:18nCCCCCCCNCCCCCCNCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClN3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47255 |
Area: | 405.276 |
Solvation: | -1.65936 |
Coulombic: | -31.652 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 257.718 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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