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Chemical ID: 6486464
Chemical ID:
6486464
Name [?]:
2-[(3,4-dichlorophenyl)aminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNc2ccc(c(c2)Cl)Cl)O
InChi [?]:
InChI=1/C13H11Cl2NO/c14-11-6-5-10(7-12(11)15)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,14,7,5,9,12,13,4,16,15,8,17/rA:17nCCCCCCCNCCCCCCClClO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24232 |
Area: | 448.758 |
Solvation: | -1.97662 |
Coulombic: | -30.4274 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.138 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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