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Chemical ID: 6762057
Chemical ID:
6762057
Name [?]:
4-[(4-bromo-2-chloro-phenoxy)methyl]benzohydrazide
SMILES [?]:
c1cc(ccc1COc2ccc(cc2Cl)Br)C(=O)NN
InChi [?]:
InChI=1/C14H12BrClN2O2/c15-11-5-6-13(12(16)7-11)20-8-9-1-3-10(4-2-9)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,10,13,7,6,3,12,14,9,17,16,15,20,19,18,8/E:(1,2)(3,4)/rA:20nCCCCCCCOCCCCCCClBrCONN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s3;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrClN2O2 |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73577 |
Area: | 508.159 |
Solvation: | -3.9682 |
Coulombic: | -37.1794 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.614 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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