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Chemical ID: 5191448
Chemical ID:
5191448
Name [?]:
4-benzyloxy-3,5-dichloro-benzamidine
SMILES [?]:
c1ccc(cc1)COc2c(cc(cc2Cl)C(=N)N)Cl
InChi [?]:
InChI=1/C14H12Cl2N2O/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,13,7,4,12,10,14,9,16,19,15,17,18,8/E:(2,3)(4,5)(6,7)(11,12)(15,16)(17,18)/rA:19nCCCCCCCOCCCCCCClCNNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;w16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17301 |
Area: | 475.489 |
Solvation: | -2.71423 |
Coulombic: | -38.4791 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.163 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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