Chemical ID: 7373853

c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)Br
Chemical ID:
7373853
Name [?]:
2-naphthylcarbamoylmethyl 4-bromobenzoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H14BrNO3/c20-16-8-5-14(6-9-16)19(23)24-12-18(22)21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,19,23,8,20,22,7,5,14,9,18,4,21,6,12,16,24,11,13,17,15/E:(5,6)(8,9)/rA:24nCCCCCCCCCCNCOCOCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14BrNO3
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4358
Area:551.848
Solvation:-3.36044
Coulombic:-42.6709
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.223
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):4.47

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Descriptor Annotations

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