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Chemical ID: 7678552
Chemical ID:
7678552
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
InChi [?]:
InChI=1/C16H15ClN6O2/c17-11-4-3-5-12(8-11)23-15-14(19-20-23)16(25)22(10-18-15)9-13(24)21-6-1-2-7-21/h3-5,8,10H,1-2,6-7,9H2
InChi Info:
AuxInfo=1/0/N:21,22,1,6,2,20,23,4,16,14,5,3,17,10,9,11,7,15,24,25,19,13,8,18,12/E:(1,2)(6,7)/rA:25nCCCCCCClNCCCONCNCCONCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s19s22;s10;s8d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN6O2 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2134 |
Area: | 553.508 |
Solvation: | -3.62429 |
Coulombic: | -43.8499 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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