Chemical ID: 5191448

c1ccc(cc1)COc2c(cc(cc2Cl)C(=N)N)Cl
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

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Descriptor Annotations

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