Chemical ID: 4246273

CC(c1cc(ccc1O)Cl)Nc2ccccc2Br
Chemical ID:
4246273
Name [?]:
2-[1-(2-bromophenyl)aminoethyl]-4-chloro-phenol
SMILES [?]:
CC(c1cc(ccc1O)Cl)Nc2ccccc2Br
InChi [?]:
InChI=1/C14H13BrClNO/c1-9(11-8-10(16)6-7-14(11)18)17-13-5-3-2-4-12(13)15/h2-9,17-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,6,7,4,2,5,3,17,12,8,18,10,11,9/rA:18cCCCCCCCCOClNCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s2;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.62576
Area:458.534
Solvation:-1.83758
Coulombic:-30.6448
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.616
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.92
LogP (Chemaxon):4.84

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