Chemical ID: 4754382

c1ccc(c(c1)C(=O)NC2CCCCNC2=O)C(=O)O
Chemical ID:
4754382
Name [?]:
2-[(2-oxoazepan-3-yl)carbamoyl]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCNC2=O)C(=O)O
InChi [?]:
InChI=1/C14H16N2O4/c17-12(9-5-1-2-6-10(9)14(19)20)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8H2,(H,15,18)(H,16,17)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,3,11,14,5,4,10,7,16,18,15,9,8,17,19,20/E:(19,20)/rA:20cCCCCCCCONCCCCCNCOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s10s15;d16;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.22909
Area:447.485
Solvation:-3.95803
Coulombic:-69.8572
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.288
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.61
LogP (Chemaxon):0.3

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Descriptor Annotations

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