Chemical ID: 5768676

c1ccc(c(c1)CNc2cc(ccc2Br)Br)O
Chemical ID:
5768676
Name [?]:
2-[(2,5-dibromophenyl)aminomethyl]phenol
SMILES [?]:
c1ccc(c(c1)CNc2cc(ccc2Br)Br)O
InChi [?]:
InChI=1/C13H11Br2NO/c14-10-5-6-11(15)12(7-10)16-8-9-3-1-2-4-13(9)17/h1-7,16-17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,10,7,5,11,14,9,4,16,15,8,17/rA:17nCCCCCCCNCCCCCCBrBrO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s11;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Br2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.26235
Area:443.622
Solvation:-1.82821
Coulombic:-30.2126
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.041
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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