Chemical ID: 3967131

c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4
Chemical ID:
3967131
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4
InChi [?]:
InChI=1/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,6,12,3,15,24,5,11,8,4,16,7,10,9,19,18,21,23,20,17,22/rA:24nCCCCCCCCCCCCCCCCNCCNCONC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s16;d10s17;d7s18;s4s19;s9;d21;s21;s8s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.46246
Area:469.914
Solvation:-2.28539
Coulombic:-45.4036
Bond Count [?]
All:29
Single:19
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:311.337
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.13
LogP (Chemaxon):4.27

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Descriptor Annotations

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